12862 lines
531 KiB
XML
12862 lines
531 KiB
XML
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3.352218600E+00, 1.310386700E-03, -1.431838300E-07, -4.544233000E-11,
|
|
7.342074900E-15, 8.223250000E+04, 7.083708390E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF2 -->
|
|
<species name="ALF2">
|
|
<atomArray>Al:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.740846500E+00, 1.446674500E-02, -2.152061900E-05, 1.541198900E-08,
|
|
-4.322979700E-12, -8.483459400E+04, 1.267668180E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.157930000E+00, 9.813228700E-04, -4.453502800E-07, 8.820596000E-11,
|
|
-6.126225500E-15, -8.556647900E+04, -3.951192330E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF2+ -->
|
|
<species name="ALF2+">
|
|
<atomArray>E:-1 Al:1 F:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.123917600E+00, 1.452305600E-02, -2.131544300E-05, 1.515613300E-08,
|
|
-4.237409600E-12, 9.654507200E+03, 7.474176450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.592539400E+00, 1.031948900E-03, -4.573944000E-07, 8.962059900E-11,
|
|
-6.460982500E-15, 8.899194300E+03, -9.459697650E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF2- -->
|
|
<species name="ALF2-">
|
|
<atomArray>E:1 Al:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.671535000E+00, 1.560194400E-02, -2.441932200E-05, 1.825316900E-08,
|
|
-5.306477500E-12, -1.105086000E+05, 1.233823370E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.266674500E+00, 8.371117200E-04, -3.684002100E-07, 7.015047700E-11,
|
|
-4.687629800E-15, -1.112529000E+05, -5.021179660E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF2O -->
|
|
<species name="ALF2O">
|
|
<atomArray>Al:1 O:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.087409000E+00, 2.383323900E-02, -3.606298300E-05, 2.626891900E-08,
|
|
-7.485676000E-12, -1.350654000E+05, 1.189367180E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.820562200E+00, 1.254869400E-03, -5.452446500E-07, 1.203686000E-10,
|
|
-9.648359900E-15, -1.363066800E+05, -1.604287220E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF2O- -->
|
|
<species name="ALF2O-">
|
|
<atomArray>E:1 Al:1 O:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.919759700E+00, 2.409401300E-02, -3.608094400E-05, 2.606784800E-08,
|
|
-7.380837900E-12, -1.591815200E+05, 1.183108220E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.614278600E+00, 1.578459600E-03, -7.002911500E-07, 1.372921200E-10,
|
|
-9.901398500E-15, -1.604033600E+05, -1.587925080E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF3 -->
|
|
<species name="ALF3">
|
|
<atomArray>Al:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.102854120E+00, 2.234557650E-02, -3.145886900E-05, 2.115820730E-08,
|
|
-5.538960730E-12, -1.471267970E+05, 1.015970690E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.728972290E+00, 1.314285590E-03, -5.175995810E-07, 8.867827890E-11,
|
|
-5.528373630E-15, -1.483903300E+05, -1.750366610E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALF4- -->
|
|
<species name="ALF4-">
|
|
<atomArray>E:1 Al:1 F:4 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.587859300E+00, 3.993044100E-02, -6.573691400E-05, 5.116305500E-08,
|
|
-1.535869500E-11, -2.415964900E+05, 1.130157700E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.147145100E+01, 1.752578600E-03, -7.806422700E-07, 1.534447400E-10,
|
|
-1.108637400E-14, -2.433603600E+05, -3.119807500E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALH -->
|
|
<species name="ALH">
|
|
<atomArray>H:1 Al:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.657685700E+00, -1.974469800E-03, 6.866339800E-06, -6.204140400E-09,
|
|
1.866310300E-12, 3.014645800E+04, 2.088511030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.336689800E+00, 1.287786400E-03, -4.986994100E-07, 9.229463300E-11,
|
|
-6.345169400E-15, 3.009176100E+04, 3.095488230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALI -->
|
|
<species name="ALI">
|
|
<atomArray>I:1 Al:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.376193860E+00, 6.203580000E-03, -1.334379880E-05, 1.289780400E-08,
|
|
-4.592625080E-12, 6.984689440E+03, 9.209802770E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.300678350E+00, 3.945267980E-04, -1.947178770E-07, 4.317665940E-11,
|
|
-2.509959420E-15, 6.877338390E+03, 5.195549900E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALI3 -->
|
|
<species name="ALI3">
|
|
<atomArray>I:3 Al:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.976129800E+00, 1.321277800E-02, -2.382907300E-05, 1.979639300E-08,
|
|
-6.233627600E-12, -2.574158500E+04, 2.147667160E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.709249600E+00, 3.366469200E-04, -1.509485400E-07, 2.981315800E-11,
|
|
-2.161799400E-15, -2.623399600E+04, -1.066399430E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALN -->
|
|
<species name="ALN">
|
|
<atomArray>Al:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.644865000E+00, 6.541687600E-03, -9.862533900E-06, 7.188232300E-09,
|
|
-2.044484500E-12, 6.189738200E+04, 1.084786440E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.145046800E+00, 4.856096200E-04, -2.012640900E-07, 4.125948800E-11,
|
|
-2.885430800E-15, 6.158324000E+04, 3.582342980E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO -->
|
|
<species name="ALO">
|
|
<atomArray>Al:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.811610300E+00, 3.958426100E-03, -3.369530400E-06, 6.733049700E-10,
|
|
4.008945500E-13, 7.065503700E+03, 9.208957530E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.313906400E+00, 1.045242100E-03, 2.748553300E-07, -1.792860600E-10,
|
|
1.998781300E-14, 7.094333600E+03, 7.209634230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO+ -->
|
|
<species name="ALO+">
|
|
<atomArray>E:-1 Al:1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.941443400E+00, 5.259216800E-03, -7.343907300E-06, 5.331678300E-09,
|
|
-1.578333600E-12, 1.183746900E+05, 9.735382520E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.190846700E+00, 6.935819800E-04, -3.445999900E-07, 7.617232700E-11,
|
|
-5.903240000E-15, 1.180743900E+05, 3.529519820E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO- -->
|
|
<species name="ALO-">
|
|
<atomArray>E:1 Al:1 O:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.722675400E+00, 4.947551800E-03, -5.757175400E-06, 3.142440000E-09,
|
|
-6.415283200E-13, -3.339129600E+04, 8.836313720E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.038055500E+00, 5.583711000E-04, -2.188866500E-07, 3.853302400E-11,
|
|
-2.109555000E-15, -3.371008900E+04, 2.244806520E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALOCL -->
|
|
<species name="ALOCL">
|
|
<atomArray>Al:1 O:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.244440900E+00, 1.411700500E-02, -1.932203800E-05, 1.196279800E-08,
|
|
-2.706918000E-12, -4.331234300E+04, 8.005372110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.780520000E+00, 7.966282200E-04, -3.423335500E-07, 6.502264800E-11,
|
|
-4.551919700E-15, -4.408083200E+04, -9.300140390E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALOF -->
|
|
<species name="ALOF">
|
|
<atomArray>Al:1 O:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.039146100E+00, 1.894876200E-02, -2.897877000E-05, 2.136094100E-08,
|
|
-6.157987300E-12, -7.118233300E+04, 1.238659820E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.452162200E+00, 1.192659500E-03, -5.289313700E-07, 1.036781100E-10,
|
|
-7.476536700E-15, -7.211636300E+04, -9.018127810E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALOH -->
|
|
<species name="ALOH">
|
|
<atomArray>H:1 Al:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.613221100E+00, 2.771689400E-03, 7.415783000E-06, -1.135460200E-08,
|
|
4.556955900E-12, -2.258679700E+04, 1.007533030E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.686067400E+00, 3.363682200E-03, -1.246624400E-06, 2.138220500E-10,
|
|
-1.389831900E-14, -2.304610500E+04, 3.690155590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALOH+ -->
|
|
<species name="ALOH+">
|
|
<atomArray>H:1 E:-1 Al:1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.960343900E+00, 7.919114000E-03, -2.285795900E-06, -4.010378900E-09,
|
|
2.570759600E-12, 6.451018500E+04, 1.410617760E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.150198700E+00, 2.892521200E-03, -1.056541400E-06, 1.794516700E-10,
|
|
-1.158701400E-14, 6.389288800E+04, 2.640138120E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALOH- -->
|
|
<species name="ALOH-">
|
|
<atomArray>H:1 E:1 Al:1 O:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.913020400E+00, 5.953071500E-03, -3.055805400E-06, -1.259870900E-09,
|
|
1.288609400E-12, -2.878182700E+04, 1.062246690E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.301071800E+00, 2.166850300E-03, -7.398864500E-07, 1.182105500E-10,
|
|
-7.220884100E-15, -2.913409500E+04, 3.527007550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO2 -->
|
|
<species name="ALO2">
|
|
<atomArray>Al:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.254514800E+00, 1.427584400E-02, -2.110324800E-05, 1.505625900E-08,
|
|
-4.214261400E-12, -1.181258200E+04, 8.302554930E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.606464100E+00, 1.080225200E-03, -5.222934400E-07, 1.132422000E-10,
|
|
-8.529096800E-15, -1.253243200E+04, -8.017175870E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO2- -->
|
|
<species name="ALO2-">
|
|
<atomArray>E:1 Al:1 O:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.081203800E+00, 1.303965400E-02, -1.711992200E-05, 1.097870000E-08,
|
|
-2.794212000E-12, -6.020620300E+04, 7.501566860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.368748200E+00, 1.279203000E-03, -5.650399100E-07, 1.104637900E-10,
|
|
-7.951244200E-15, -6.097200900E+04, -8.798795040E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALO2H -->
|
|
<species name="ALO2H">
|
|
<atomArray>H:1 Al:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.480045600E+00, 1.614926400E-02, -1.603352400E-05, 6.446616600E-09,
|
|
-4.099476900E-13, -5.668275900E+04, 1.230707100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.426434600E+00, 3.223036200E-03, -1.213934800E-06, 2.107450000E-10,
|
|
-1.382800000E-14, -5.762615400E+04, -7.457592560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ALS -->
|
|
<species name="ALS">
|
|
<atomArray>S:1 Al:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.714551830E+00, 7.311807250E-03, -1.265289250E-05, 1.017961650E-08,
|
|
-2.876133870E-12, 2.764349140E+04, 1.056695990E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.981711180E+00, 3.975264370E-03, -1.494288580E-06, 2.263658700E-10,
|
|
-1.210363840E-14, 2.824057540E+04, 1.598822730E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2 -->
|
|
<species name="AL2">
|
|
<atomArray>Al:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.809448100E+00, 1.593650200E-02, -2.725025800E-05, 1.987112000E-08,
|
|
-5.368404600E-12, 5.753113400E+04, 1.407208080E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.815806200E+00, -1.325053700E-03, 6.075188600E-07, -1.069241900E-10,
|
|
7.061140900E-15, 5.678904700E+04, -4.954710630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2Br6 -->
|
|
<species name="AL2Br6">
|
|
<atomArray>Al:2 Br:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.418597900E+01, 3.445250600E-02, -6.252243700E-05, 5.217323800E-08,
|
|
-1.648270900E-11, -1.180252500E+05, -2.292910600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.127433100E+01, 8.393963500E-04, -3.759477800E-07, 7.417011000E-11,
|
|
-5.372855100E-15, -1.192932500E+05, -5.610682000E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2CL6 -->
|
|
<species name="AL2CL6">
|
|
<atomArray>Al:2 Cl:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.050919800E+01, 4.907743600E-02, -8.720872600E-05, 7.172343200E-08,
|
|
-2.242432800E-11, -1.605178400E+05, -1.408406710E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.079400300E+01, 1.391424700E-03, -6.221367100E-07, 1.225937700E-10,
|
|
-8.872758500E-15, -1.624047200E+05, -6.247318810E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2F6 -->
|
|
<species name="AL2F6">
|
|
<atomArray>Al:2 F:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.161811800E+00, 6.889889000E-02, -1.096586000E-04, 8.329334200E-08,
|
|
-2.456104900E-11, -3.199424800E+05, 1.221256400E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.882984600E+01, 3.620223000E-03, -1.608555200E-06, 3.156625200E-10,
|
|
-2.278028700E-14, -3.231511000E+05, -6.324007900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2I6 -->
|
|
<species name="AL2I6">
|
|
<atomArray>I:6 Al:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.622549800E+01, 2.593843900E-02, -4.764235200E-05, 4.008368500E-08,
|
|
-1.273718400E-11, -6.451949700E+04, -2.654041430E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.150319100E+01, 5.759419300E-04, -2.583902800E-07, 5.104597700E-11,
|
|
-3.701773800E-15, -6.544913100E+04, -5.116606630E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2O -->
|
|
<species name="AL2O">
|
|
<atomArray>Al:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.073265600E+00, 1.130761300E-02, -1.656516200E-05, 1.178428400E-08,
|
|
-3.300550300E-12, -1.905423000E+04, 4.408348310E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.772062700E+00, 8.255009200E-04, -3.629100100E-07, 6.953130000E-11,
|
|
-4.734521100E-15, -1.964319700E+04, -8.772331290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2O+ -->
|
|
<species name="AL2O+">
|
|
<atomArray>E:-1 Al:2 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.104573600E+00, 1.197835100E-02, -1.852258900E-05, 1.375669100E-08,
|
|
-3.986742300E-12, 7.685270300E+04, 5.102572480E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.879785500E+00, 7.074987700E-04, -3.141924400E-07, 6.164098300E-11,
|
|
-4.447869800E-15, 7.627075600E+04, -8.331814420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2O2 -->
|
|
<species name="AL2O2">
|
|
<atomArray>Al:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.759641100E+00, 2.999759900E-02, -5.219049700E-05, 4.228268600E-08,
|
|
-1.307536000E-11, -4.922603200E+04, 1.110077200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.159097600E+00, 9.685392700E-04, -4.325851300E-07, 8.517884000E-11,
|
|
-6.161537000E-15, -5.042805900E+04, -1.915646800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species AL2O2+ -->
|
|
<species name="AL2O2+">
|
|
<atomArray>E:-1 Al:2 O:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.342190400E+00, 2.811124900E-02, -4.954717800E-05, 4.050975200E-08,
|
|
-1.261031000E-11, 6.636250600E+04, 9.290241670E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.275169300E+00, 8.358722300E-04, -3.736160800E-07, 7.360516800E-11,
|
|
-5.326279400E-15, 6.526406800E+04, -1.867725860E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ar -->
|
|
<species name="Ar">
|
|
<atomArray>Ar:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 4.379674910E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 4.379674910E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ar+ -->
|
|
<species name="Ar+">
|
|
<atomArray>Ar:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.593160970E+00, -1.328929440E-03, 5.265039440E-06, -5.979566910E-09,
|
|
2.189678620E-12, 1.828783680E+05, 5.449805750E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.869995470E+00, -1.425472420E-04, 9.366887760E-09, 2.925808590E-12,
|
|
-3.582479410E-16, 1.827026170E+05, 3.532299800E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B -->
|
|
<species name="B">
|
|
<atomArray>B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.510540990E+00, -6.238013280E-05, 1.421780990E-07, -1.416977960E-10,
|
|
5.150187490E-14, 6.660538940E+04, 4.163672090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.498602730E+00, 1.402673220E-06, 1.094582780E-09, -1.200064140E-12,
|
|
2.431219940E-16, 6.660759140E+04, 4.218879790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B+ -->
|
|
<species name="B+">
|
|
<atomArray>B:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.636319600E+05, 2.419077080E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.512071180E+00, -2.600084910E-05, 1.904117550E-08, -5.718400710E-12,
|
|
6.068930370E-16, 1.636278510E+05, 2.353926990E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B- -->
|
|
<species name="B-">
|
|
<atomArray>B:1 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.501202710E+00, -5.734272080E-06, 1.096704350E-08, -9.503035330E-12,
|
|
3.089357740E-15, 6.264158060E+04, 4.610781380E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500075920E+00, -8.172942560E-08, 3.299657830E-11, -5.746496520E-15,
|
|
3.623660560E-19, 6.264176930E+04, 4.615985930E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL -->
|
|
<species name="BCL">
|
|
<atomArray>B:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.836446300E+00, 4.436881200E-03, -4.388752200E-06, 1.516107800E-09,
|
|
3.264619500E-14, 1.600136100E+04, 8.345332090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.102057100E+00, 4.865919300E-04, -1.886432600E-07, 3.583334200E-11,
|
|
-2.509906900E-15, 1.568795800E+04, 1.955251190E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL+ -->
|
|
<species name="BCL+">
|
|
<atomArray>B:1 E:-1 Cl:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.812419700E+00, 4.600639200E-03, -4.811996200E-06, 1.967221600E-09,
|
|
-1.383780200E-13, 1.474484900E+05, 9.156682450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.106088800E+00, 4.727417000E-04, -1.792858400E-07, 3.241613700E-11,
|
|
-2.054575800E-15, 1.471309700E+05, 2.642729450E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCLF -->
|
|
<species name="BCLF">
|
|
<atomArray>F:1 B:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.312023400E+00, 7.419876300E-03, -4.348594900E-06, -1.137405700E-09,
|
|
1.376389000E-12, -3.901754800E+04, 1.094835630E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.707675700E+00, 1.410020300E-03, -6.011413700E-07, 1.136704400E-10,
|
|
-7.936806300E-15, -3.969332700E+04, -1.535038380E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL2 -->
|
|
<species name="BCL2">
|
|
<atomArray>B:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.297478600E+00, 1.208257600E-02, -1.612375500E-05, 9.626585600E-09,
|
|
-2.059919900E-12, -1.095653700E+04, 1.104253330E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.445983800E+00, 5.792794800E-04, -2.604970500E-07, 6.359635800E-11,
|
|
-5.398221500E-15, -1.166130400E+04, -4.460869770E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL2+ -->
|
|
<species name="BCL2+">
|
|
<atomArray>B:1 E:-1 Cl:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.270493100E+00, 1.060379100E-02, -1.422983800E-05, 8.537283100E-09,
|
|
-1.834967100E-12, 7.943601600E+04, 4.076450690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.926662700E+00, 6.777763300E-04, -3.210149600E-07, 6.834442200E-11,
|
|
-5.007359200E-15, 7.885782200E+04, -8.934626610E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL2- -->
|
|
<species name="BCL2-">
|
|
<atomArray>B:1 E:1 Cl:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.235879100E+00, 1.169021900E-02, -1.477825900E-05, 8.218154600E-09,
|
|
-1.565791300E-12, -1.898181500E+04, 1.069001040E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.351821800E+00, 7.702884800E-04, -4.469986300E-07, 1.383117800E-10,
|
|
-1.322199500E-14, -1.970543200E+04, -4.774720730E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BCL3 -->
|
|
<species name="BCL3">
|
|
<atomArray>B:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.739526500E+00, 1.810581300E-02, -2.134046100E-05, 1.082833500E-08,
|
|
-1.732596700E-12, -5.021460900E+04, 9.053127470E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.598538000E+00, 1.553192300E-03, -6.700060200E-07, 1.278911200E-10,
|
|
-9.000005900E-15, -5.135707100E+04, -1.515842970E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BF -->
|
|
<species name="BF">
|
|
<atomArray>B:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.461360900E+00, -9.568546800E-04, 6.013574400E-06, -6.497805700E-09,
|
|
2.235534900E-12, -1.496982000E+04, 4.460779630E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.577188800E+00, 1.019290800E-03, -4.125156400E-07, 7.719643800E-11,
|
|
-5.349874100E-15, -1.512726400E+04, 3.266122430E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BF2 -->
|
|
<species name="BF2">
|
|
<atomArray>B:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.030930300E+00, 7.241102100E-03, -2.825091900E-06, -2.892041300E-09,
|
|
2.004610200E-12, -7.215110200E+04, 1.044570350E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.444745700E+00, 1.753321100E-03, -7.844447400E-07, 1.571985900E-10,
|
|
-1.131107100E-14, -7.286036700E+04, -2.273319200E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BF2+ -->
|
|
<species name="BF2+">
|
|
<atomArray>B:1 E:-1 F:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.314647400E+00, 8.644365400E-03, -6.752539600E-06, 1.338366500E-09,
|
|
4.511491000E-13, 3.748364900E+04, 5.904689780E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.812763800E+00, 1.819342400E-03, -7.710345700E-07, 1.448978200E-10,
|
|
-9.980915600E-15, 3.679480100E+04, -7.004311920E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BF2- -->
|
|
<species name="BF2-">
|
|
<atomArray>B:1 E:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.142458100E+00, 6.410457900E-03, -1.238646100E-06, -4.122010000E-09,
|
|
2.347236700E-12, -9.767296400E+04, 9.225232320E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.310034800E+00, 2.002043900E-03, -9.723551000E-07, 2.164144300E-10,
|
|
-1.664088100E-14, -9.833692800E+04, -2.327760780E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BF3 -->
|
|
<species name="BF3">
|
|
<atomArray>B:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.446824400E+00, 1.527631200E-02, -1.078461700E-05, 6.890750200E-10,
|
|
1.489318700E-12, -1.379013500E+05, 1.256782110E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.024198500E+00, 3.222155900E-03, -1.370515400E-06, 2.591967100E-10,
|
|
-1.812231000E-14, -1.391807200E+05, -1.118430090E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BH -->
|
|
<species name="BH">
|
|
<atomArray>H:1 B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.686220600E+00, -1.305543500E-03, 2.674210500E-06, -9.107373800E-10,
|
|
-1.559113600E-13, 5.217633000E+04, -5.524540120E-02</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.891907900E+00, 1.583294600E-03, -5.826172900E-07, 1.024206800E-10,
|
|
-6.766956900E-15, 5.232871400E+04, 3.796243290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BHF2 -->
|
|
<species name="BHF2">
|
|
<atomArray>H:1 B:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.405360200E+00, 9.275584400E-03, 1.338646100E-06, -8.680789500E-09,
|
|
4.121101500E-12, -8.938840900E+04, 1.288804410E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.318452700E+00, 4.744446600E-03, -1.933785800E-06, 3.550838200E-10,
|
|
-2.429366700E-14, -9.037501200E+04, -3.043140310E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BH2 -->
|
|
<species name="BH2">
|
|
<atomArray>H:2 B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.395828200E+00, 7.477626000E-03, -7.201951400E-06, 4.582639800E-09,
|
|
-1.251068000E-12, 2.316265000E+04, 6.076470390E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.362528500E+00, 3.901285400E-03, -1.509755100E-06, 2.667280500E-10,
|
|
-1.771305300E-14, 2.291902800E+04, 1.259282590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BH3 -->
|
|
<species name="BH3">
|
|
<atomArray>H:3 B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.948703300E+00, -5.217054300E-04, 7.648116400E-06, -4.614869400E-09,
|
|
5.631861600E-13, 1.161880900E+04, -4.551745790E-02</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.062172600E+00, 7.265589500E-03, -2.751033700E-06, 4.780370900E-10,
|
|
-3.133428500E-14, 1.192375300E+04, 8.849450830E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BN -->
|
|
<species name="BN">
|
|
<atomArray>B:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.537506500E+00, -1.355658600E-03, 6.221418900E-06, -6.168326900E-09,
|
|
1.987246100E-12, 5.632974300E+04, 5.563176750E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.598183200E+00, 8.717680500E-04, -2.997264400E-07, 5.603694400E-11,
|
|
-4.075042100E-15, 5.617124100E+04, 4.600225250E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BO -->
|
|
<species name="BO">
|
|
<atomArray>B:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.729725000E+00, -2.087832400E-03, 5.736284900E-06, -4.389482800E-09,
|
|
1.091663200E-12, -1.061885900E+03, 3.625541040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.156495600E+00, 1.381658900E-03, -5.504963000E-07, 9.911667800E-11,
|
|
-6.416454600E-15, -1.030342200E+03, 6.037489540E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BOCL -->
|
|
<species name="BOCL">
|
|
<atomArray>B:1 O:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.270532100E+00, 1.022775000E-02, -1.207016300E-05, 7.202556200E-09,
|
|
-1.691473800E-12, -3.937820800E+04, 7.349302250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.713556600E+00, 1.866468900E-03, -7.748789800E-07, 1.439857200E-10,
|
|
-9.931774500E-15, -3.997735300E+04, -4.880403550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BOF -->
|
|
<species name="BOF">
|
|
<atomArray>B:1 O:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.237037380E+00, 1.334954960E-02, -1.815306140E-05, 1.360936760E-08,
|
|
-4.243823970E-12, -7.352837350E+04, 1.100694110E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.392966030E+00, 2.074445000E-03, -7.936005860E-07, 1.334765710E-10,
|
|
-8.217793310E-15, -7.431138520E+04, -4.765005350E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BOF2 -->
|
|
<species name="BOF2">
|
|
<atomArray>B:1 O:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.744597700E+00, 1.869327700E-02, -1.524616400E-05, 2.655947000E-09,
|
|
1.379860600E-12, -1.018675800E+05, 1.735313900E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.307723300E+00, 2.990362000E-03, -1.305961700E-06, 2.530824200E-10,
|
|
-1.768733300E-14, -1.033457600E+05, -1.119241600E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BO2 -->
|
|
<species name="BO2">
|
|
<atomArray>B:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.121204800E+00, 8.468088300E-03, -4.597227800E-06, -1.642002100E-09,
|
|
1.665823300E-12, -3.548330700E+04, 7.547891630E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.819843400E+00, 1.862657400E-03, -8.130279700E-07, 1.573582100E-10,
|
|
-1.094423800E-14, -3.625511700E+04, -6.560907970E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BO2- -->
|
|
<species name="BO2-">
|
|
<atomArray>B:1 E:1 O:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.491633700E+00, 9.747064400E-03, -8.764086400E-06, 3.580254400E-09,
|
|
-4.061122100E-13, -8.464121800E+04, 9.226895700E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.880516900E+00, 2.674365100E-03, -1.093219400E-06, 2.008087300E-10,
|
|
-1.371776900E-14, -8.528432400E+04, -3.009276400E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BS -->
|
|
<species name="BS">
|
|
<atomArray>S:1 B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.174204600E+00, 9.854497200E-04, 2.771131900E-06, -4.375180100E-09,
|
|
1.761617900E-12, 2.823062400E+04, 7.533862400E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.706854200E+00, 9.868289500E-04, -4.749526600E-07, 1.065460100E-10,
|
|
-8.051964300E-15, 2.801281600E+04, 4.424620900E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B2 -->
|
|
<species name="B2">
|
|
<atomArray>B:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.790997440E+00, -5.875363590E-03, 3.005141620E-05, -3.914391730E-08,
|
|
1.604194280E-11, 9.872299980E+04, 3.434632030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.238691550E+00, -5.236075070E-04, 1.697049780E-07, -2.065490420E-11,
|
|
9.414359250E-16, 9.798738280E+04, -6.007422170E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B2O -->
|
|
<species name="B2O">
|
|
<atomArray>B:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.529473000E+00, 3.199382600E-03, 3.032925700E-06, -5.749125500E-09,
|
|
2.284734900E-12, 1.036320100E+04, 6.239631430E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.730053800E+00, 2.394148600E-03, -1.000832400E-06, 1.869751000E-10,
|
|
-1.295367200E-14, 9.885335400E+03, -6.358512890E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B2O2 -->
|
|
<species name="B2O2">
|
|
<atomArray>B:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.680707800E+00, 1.536113200E-02, -1.860609700E-05, 1.217145100E-08,
|
|
-3.241101800E-12, -5.648664700E+04, 4.356127340E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.993857400E+00, 3.594039300E-03, -1.475361100E-06, 2.722512400E-10,
|
|
-1.869599600E-14, -5.729617800E+04, -1.216777710E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B2O3 -->
|
|
<species name="B2O3">
|
|
<atomArray>B:2 O:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.660883700E+00, 2.026207600E-02, -2.194733800E-05, 1.225300400E-08,
|
|
-2.703840200E-12, -1.023652400E+05, 8.106220680E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.399410600E+00, 4.743633800E-03, -1.955230400E-06, 3.618774900E-10,
|
|
-2.490723200E-14, -1.035715800E+05, -1.581000090E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B3O3CL3 -->
|
|
<species name="B3O3CL3">
|
|
<atomArray>B:3 O:3 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.044498300E+00, 5.426059700E-02, -5.575076100E-05, 2.222312800E-08,
|
|
-1.418129500E-12, -1.994163200E+05, 9.056722550E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.928256400E+01, 6.317258100E-03, -2.724292600E-06, 5.204791000E-10,
|
|
-3.667779000E-14, -2.032088300E+05, -6.788515210E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B3O3F3 -->
|
|
<species name="B3O3F3">
|
|
<atomArray>B:3 O:3 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.079886100E+00, 4.563659200E-02, -3.309882600E-05, 2.553883900E-09,
|
|
4.435876100E-12, -2.871221300E+05, 1.147539170E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.685861600E+01, 8.868575400E-03, -3.788105800E-06, 7.187040100E-10,
|
|
-5.037691700E-14, -2.909310400E+05, -5.985875230E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species B3O3H3 -->
|
|
<species name="B3O3H3">
|
|
<atomArray>H:3 B:3 O:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.769890780E+00, 2.534259000E-02, 1.224867010E-05, -3.730576110E-08,
|
|
1.745568970E-11, -1.484310260E+05, 1.152180190E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.212012120E+01, 1.228112090E-02, -4.609224870E-06, 7.658245420E-10,
|
|
-4.676237930E-14, -1.516486290E+05, -3.989180070E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ba -->
|
|
<species name="Ba">
|
|
<atomArray>Ba:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.503877700E+00, -3.780391400E-05, 1.291496600E-07, -1.840040900E-10,
|
|
9.293482900E-14, 2.079254400E+04, 6.216742220E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.973054500E+00, -1.116121500E-02, 7.117214700E-06, -1.533667300E-09,
|
|
1.087670000E-13, 1.888996600E+04, -2.348768480E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaBr -->
|
|
<species name="BaBr">
|
|
<atomArray>Ba:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.171455300E+00, 1.596081300E-03, -2.888654200E-06, 2.476714700E-09,
|
|
-7.983070000E-13, -1.459449500E+04, 8.386206770E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.368977400E+00, 3.907588700E-04, -2.990174900E-07, 1.064130100E-10,
|
|
-9.841604900E-15, -1.461768500E+04, 7.525260870E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaBr2 -->
|
|
<species name="BaBr2">
|
|
<atomArray>Ba:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.340527500E+00, 3.056195200E-03, -5.728586400E-06, 4.887596800E-09,
|
|
-1.568808100E-12, -5.306231600E+04, 4.319437150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.950233800E+00, 5.806602300E-05, -2.619542800E-08, 5.199282800E-12,
|
|
-3.785277000E-16, -5.316684200E+04, 1.490027550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaCL -->
|
|
<species name="BaCL">
|
|
<atomArray>Ba:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.978114800E+00, 2.180321800E-03, -3.434256500E-06, 2.518221200E-09,
|
|
-6.905802700E-13, -1.836693700E+04, 7.924261040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.667523800E+00, -2.218725100E-04, 8.127068000E-08, 3.021696200E-11,
|
|
-5.318330100E-15, -1.854214200E+04, 4.464442040E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaCL2 -->
|
|
<species name="BaCL2">
|
|
<atomArray>Ba:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.057123800E+00, 3.842614900E-03, -6.268320500E-06, 4.619666500E-09,
|
|
-1.274476800E-12, -6.191453600E+04, 3.761791660E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.913863700E+00, 9.821396300E-05, -4.326834800E-08, 8.396900600E-12,
|
|
-5.989208500E-16, -6.207605100E+04, -3.058630750E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaF -->
|
|
<species name="BaF">
|
|
<atomArray>Ba:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.353750600E+00, 4.381958000E-03, -6.640592900E-06, 4.614322900E-09,
|
|
-1.197151800E-12, -3.989295600E+04, 9.457589260E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.358712500E+00, 3.011073800E-04, -2.286331500E-07, 8.986555400E-11,
|
|
-8.765759500E-15, -4.010137600E+04, 4.601485460E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaF+ -->
|
|
<species name="BaF+">
|
|
<atomArray>E:-1 Ba:1 F:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.161746400E+00, 4.887607900E-03, -7.121988200E-06, 4.714497100E-09,
|
|
-1.145898300E-12, 1.696046400E+04, 9.546232910E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.494556500E+00, -4.113005600E-03, 2.588280800E-06, -5.045869800E-10,
|
|
3.071956000E-14, 1.596065100E+04, -7.884984490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaF2 -->
|
|
<species name="BaF2">
|
|
<atomArray>Ba:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.096823900E+00, 7.422625000E-03, -1.168283300E-05, 8.329621800E-09,
|
|
-2.221685600E-12, -9.843159500E+04, 5.436920860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.797715900E+00, 2.293219600E-04, -1.005352100E-07, 1.942856600E-11,
|
|
-1.380750700E-15, -9.876311400E+04, -2.695283240E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaOH -->
|
|
<species name="BaOH">
|
|
<atomArray>H:1 Ba:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.668183100E+00, 1.688397600E-02, -3.103177700E-05, 2.642104800E-08,
|
|
-8.395358800E-12, -2.855466800E+04, 1.134340920E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.517846800E+00, 1.478090300E-03, -5.782330700E-07, 1.404022200E-10,
|
|
-1.203576500E-14, -2.895907400E+04, -1.497872880E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaOH+ -->
|
|
<species name="BaOH+">
|
|
<atomArray>H:1 E:-1 Ba:1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.709049000E+00, 1.672652500E-02, -3.076792700E-05, 2.621044800E-08,
|
|
-8.330383900E-12, 3.125507900E+04, 1.047079090E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.512601900E+00, 1.401384000E-03, -4.235021600E-07, 6.057836300E-11,
|
|
-3.351965300E-15, 3.087134900E+04, -2.107673000E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaO2H2 -->
|
|
<species name="BaO2H2">
|
|
<atomArray>H:2 Ba:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.790935600E+00, 3.207544900E-02, -5.935080600E-05, 5.077638500E-08,
|
|
-1.618113100E-11, -7.748355800E+04, 8.948693230E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.082473500E+00, 2.736831100E-03, -8.175367800E-07, 1.153488400E-10,
|
|
-6.283375600E-15, -7.818658600E+04, -1.468867160E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BaS -->
|
|
<species name="BaS">
|
|
<atomArray>S:1 Ba:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.481617100E+00, 4.565813500E-03, -8.272641000E-06, 6.937259400E-09,
|
|
-2.200024300E-12, 3.363648800E+03, 9.044225060E+00</floatArray>
|
|
</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.440258700E+00, 7.426939800E-04, -1.179568100E-06, 5.761863800E-10,
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-6.754632400E-14, 3.115982000E+03, 4.285984360E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species Be -->
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|
<species name="Be">
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<atomArray>Be:1 </atomArray>
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<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 3.822264600E+04, 2.146173160E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.294385660E+00, 4.116698410E-04, -2.647308320E-07, 6.256813880E-11,
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-3.892810070E-15, 3.829580550E+04, 3.267319420E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species Be+ -->
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|
<species name="Be+">
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<atomArray>Be:1 E:-1 </atomArray>
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<charge>1</charge>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 1.458936930E+05, 2.839229270E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.501689760E+00, -5.103736470E-06, 5.274810900E-09, -2.161550490E-12,
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|
3.007130260E-16, 1.458932770E+05, 2.830668470E+00</floatArray>
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|
</NASA>
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</thermo>
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</species>
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|
<!-- species BeBO2 -->
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|
<species name="BeBO2">
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|
<atomArray>Be:1 B:1 O:2 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.006912000E+00, 1.804482400E-02, -1.691758100E-05, 6.086537300E-09,
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|
-1.727628500E-13, -5.923419700E+04, 1.580555710E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.910837600E+00, 3.266868400E-03, -1.367812000E-06, 2.557621100E-10,
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|
-1.772774100E-14, -6.050571500E+04, -9.161658050E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species BeBr -->
|
|
<species name="BeBr">
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|
<atomArray>Be:1 Br:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.659145700E+00, 6.702727800E-03, -1.040371100E-05, 7.765519400E-09,
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|
-2.253091800E-12, 1.343309600E+04, 1.073565200E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.194388700E+00, 3.993902300E-04, -1.483887300E-07, 2.676227200E-11,
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|
-1.562612700E-15, 1.311546400E+04, 3.322948450E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species BeBr2 -->
|
|
<species name="BeBr2">
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|
<atomArray>Be:1 Br:2 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.642228300E+00, 9.008445100E-03, -1.269855600E-05, 8.755898500E-09,
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|
-2.392319400E-12, -2.926543500E+04, 4.300119330E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.834487200E+00, 7.542928700E-04, -3.336820600E-07, 6.530234900E-11,
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|
-4.704109600E-15, -2.975711700E+04, -6.471791870E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species BeCL -->
|
|
<species name="BeCL">
|
|
<atomArray>Be:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.832198700E+00, 4.456676400E-03, -4.448216100E-06, 1.585258700E-09,
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|
4.520689400E-15, 6.290624800E+03, 8.891560510E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.105287800E+00, 4.746170100E-04, -1.799652800E-07, 3.256390300E-11,
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|
-2.065284000E-15, 5.975306000E+03, 2.464517410E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species BeCL+ -->
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|
<species name="BeCL+">
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|
<atomArray>Be:1 E:-1 Cl:1 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.896598400E+00, 5.126749200E-03, -6.442791100E-06, 3.563264000E-09,
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|
-6.592508800E-13, 1.167146600E+05, 7.837270450E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
5.382750000E+00, -1.847119800E-03, 1.112368300E-06, -1.695299400E-10,
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|
6.100709100E-15, 1.159971700E+05, -5.062241350E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species BeCLF -->
|
|
<species name="BeCLF">
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|
<atomArray>Be:1 F:1 Cl:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.102438100E+00, 8.501749000E-03, -8.909396300E-06, 4.007623200E-09,
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|
-5.162753900E-13, -7.046873600E+04, 4.099162810E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.440279100E+00, 1.146369300E-03, -4.854536000E-07, 9.128786500E-11,
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|
-6.344354900E-15, -7.105977100E+04, -7.728699690E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
<!-- species BeCL2 -->
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|
<species name="BeCL2">
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|
<atomArray>Be:1 Cl:2 </atomArray>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.492712500E+00, 8.053554500E-03, -8.831923900E-06, 4.089704900E-09,
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|
-5.349809200E-13, -4.495288100E+04, 2.695821410E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.704319100E+00, 8.716646800E-04, -3.725505300E-07, 7.056700600E-11,
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|
-4.933536000E-15, -4.549455800E+04, -8.422012290E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
<!-- species BeF -->
|
|
<species name="BeF">
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|
<atomArray>Be:1 F:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.276186200E+00, 2.523375900E-04, 4.093994400E-06, -5.312815000E-09,
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|
1.995490000E-12, -2.144592400E+04, 5.864996510E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.709529500E+00, 8.938360000E-04, -3.611306800E-07, 6.760109200E-11,
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|
-4.642083300E-15, -2.166005200E+04, 3.164192410E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
<!-- species BeF2 -->
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|
<species name="BeF2">
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|
<atomArray>Be:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.523427400E+00, 9.389028400E-03, -9.563620800E-06, 4.292098900E-09,
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|
-5.775111300E-13, -9.713046100E+04, 4.883975390E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
6.045763100E+00, 1.562937400E-03, -6.610819700E-07, 1.244755100E-10,
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-8.671606300E-15, -9.777912700E+04, -7.917882610E+00</floatArray>
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|
</NASA>
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</thermo>
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|
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|
|
<!-- species BeH -->
|
|
<species name="BeH">
|
|
<atomArray>Be:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.731230500E+00, -1.914354800E-03, 4.891032500E-06, -3.292588300E-09,
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|
6.663856200E-13, 3.756556000E+04, 3.886085230E-01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.057021800E+00, 1.497722300E-03, -5.687296300E-07, 1.026081700E-10,
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|
-6.916697900E-15, 3.763951300E+04, 3.400274780E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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|
|
<!-- species BeH+ -->
|
|
<species name="BeH+">
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|
<atomArray>Be:1 E:-1 H:1 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.709571200E+00, -1.585203100E-03, 3.622876900E-06, -1.893322100E-09,
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1.717326400E-13, 1.380286600E+05, -2.828964080E-01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
2.901599200E+00, 1.675176100E-03, -6.680550300E-07, 1.251095100E-10,
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|
-8.174146600E-15, 1.381681200E+05, 3.555629160E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
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|
|
<!-- species BeI -->
|
|
<species name="BeI">
|
|
<atomArray>I:1 Be:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
2.782612200E+00, 6.841034800E-03, -1.138989600E-05, 8.992412800E-09,
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|
-2.727768600E-12, 1.939618300E+04, 1.107893670E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.260049300E+00, 3.432081900E-04, -1.275947700E-07, 2.418970900E-11,
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|
-1.457014200E-15, 1.911035200E+04, 4.047667700E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species BeI2 -->
|
|
<species name="BeI2">
|
|
<atomArray>I:2 Be:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.937378600E+00, 8.740473700E-03, -1.311472400E-05, 9.492849400E-09,
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|
-2.692633600E-12, -9.461600500E+03, 4.829511370E+00</floatArray>
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|
</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
7.001126200E+00, 5.687887200E-04, -2.525375500E-07, 4.954105400E-11,
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|
-3.574720400E-15, -9.903885900E+03, -5.210255230E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
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|
|
|
|
<!-- species BeN -->
|
|
<species name="BeN">
|
|
<atomArray>Be:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.168428600E+00, 1.028248300E-03, 2.737601700E-06, -4.348109900E-09,
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|
1.753445300E-12, 5.031045100E+04, 6.662524960E+00</floatArray>
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|
</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.785593700E+00, 8.238657500E-04, -3.271160200E-07, 6.155188800E-11,
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|
-4.280904100E-15, 5.006618000E+04, 3.105585260E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
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|
|
|
|
<!-- species BeO -->
|
|
<species name="BeO">
|
|
<atomArray>Be:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
3.789742480E+00, -3.248962260E-03, 1.129885330E-05, -1.180563150E-08,
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|
4.206757610E-12, 1.534106960E+04, 2.739053060E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
5.667784730E+00, -4.078476140E-03, 3.411126080E-06, -8.210523710E-10,
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|
6.137732790E-14, 1.458995800E+04, -8.085807000E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
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|
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|
|
<!-- species BeOH -->
|
|
<species name="BeOH">
|
|
<atomArray>Be:1 O:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
1.913914800E+00, 1.350715900E-02, -1.853168700E-05, 1.294247100E-08,
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|
-3.543896100E-12, -1.481968300E+04, 1.099283050E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.611672000E+00, 2.397201300E-03, -8.548916200E-07, 1.430906200E-10,
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|
-9.111239900E-15, -1.536183800E+04, -1.988292070E+00</floatArray>
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|
</NASA>
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</thermo>
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|
</species>
|
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|
|
<!-- species BeOH+ -->
|
|
<species name="BeOH+">
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|
<atomArray>Be:1 E:-1 O:1 H:1 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
1.928098200E+00, 1.353424000E-02, -1.865402600E-05, 1.307392100E-08,
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|
-3.590057600E-12, 9.036830500E+04, 1.022572700E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
4.622352700E+00, 2.390257100E-03, -8.554947300E-07, 1.444167100E-10,
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|
-9.356029400E-15, 8.982943600E+04, -2.726146610E+00</floatArray>
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</NASA>
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|
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|
<!-- species BeO2H2 -->
|
|
<species name="BeO2H2">
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|
<atomArray>Be:1 O:2 H:2 </atomArray>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.418439300E-01, 3.991356800E-02, -6.458828100E-05, 5.102347600E-08,
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-1.547920500E-11, -8.274104500E+04, 1.731362600E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
7.855047800E+00, 4.647758000E-03, -1.650283400E-06, 2.767062300E-10,
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|
-1.782629800E-14, -8.410625900E+04, -1.842946600E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species BeS -->
|
|
<species name="BeS">
|
|
<atomArray>Be:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
2.902253800E+00, 3.189741300E-03, -1.365182500E-06, -1.509271000E-09,
|
|
1.227592900E-12, 3.071076000E+04, 7.875850640E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
5.204073400E+00, -3.874202200E-03, 4.257889100E-06, -1.256059900E-09,
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|
1.134340300E-13, 3.022608400E+04, -3.578011960E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species Be2O -->
|
|
<species name="Be2O">
|
|
<atomArray>Be:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.752789700E+00, 8.964869900E-03, -5.585924700E-06, -3.476918800E-10,
|
|
1.101547200E-12, -8.717470900E+03, 8.451918950E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.454973400E+00, 2.197038500E-03, -9.291957800E-07, 1.749641000E-10,
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|
-1.218998200E-14, -9.495898500E+03, -5.670422650E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Be2OF2 -->
|
|
<species name="Be2OF2">
|
|
<atomArray>Be:2 O:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.860002600E+00, 1.943898200E-02, -1.881876000E-05, 7.100950300E-09,
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|
-3.722525800E-13, -1.470395900E+05, 3.241733410E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
1.031134300E+01, 2.925815100E-03, -1.248198700E-06, 2.365216900E-10,
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|
-1.655916000E-14, -1.484462300E+05, -2.448768300E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species Be2O2 -->
|
|
<species name="Be2O2">
|
|
<atomArray>Be:2 O:2 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.710273900E+00, 1.824493900E-02, -1.437725300E-05, 2.126881600E-09,
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|
1.469199300E-12, -5.051236600E+04, 1.521451020E+01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
7.178365200E+00, 3.079692600E-03, -1.316227300E-06, 2.497061400E-10,
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|
-1.749633900E-14, -5.198487600E+04, -1.292559480E+01</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Be3O3 -->
|
|
<species name="Be3O3">
|
|
<atomArray>Be:3 O:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.000269200E+00, 2.000517200E-02, 5.751784700E-07, -1.709280500E-08,
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|
8.486278500E-12, -1.282686700E+05, 1.562095300E+01</floatArray>
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</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
9.190732200E+00, 7.362370100E-03, -3.129272900E-06, 5.916258900E-10,
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|
-4.136019400E-14, -1.306184900E+05, -2.331688000E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species Be4O4 -->
|
|
<species name="Be4O4">
|
|
<atomArray>Be:4 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
-1.381843800E+00, 5.238482800E-02, -4.089301800E-05, 4.737970700E-09,
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|
4.995416400E-12, -1.927835600E+05, 3.041306610E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
1.454703000E+01, 8.190373000E-03, -3.516278900E-06, 6.692345700E-10,
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|
-4.700596300E-14, -1.970484500E+05, -5.149676590E+01</floatArray>
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|
</NASA>
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|
</thermo>
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</species>
|
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|
|
<!-- species Br -->
|
|
<species name="Br">
|
|
<atomArray>Br:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.485717110E+00, 1.506475250E-04, -5.372673330E-07, 7.209210650E-10,
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|
-2.502055580E-13, 1.270921680E+04, 6.860308040E+00</floatArray>
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|
</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
2.088510530E+00, 7.121186110E-04, -2.700030730E-07, 4.149862990E-11,
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|
-2.311882940E-15, 1.285687670E+04, 9.073511440E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species Br2 -->
|
|
<species name="Br2">
|
|
<atomArray>Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.343310040E+00, 6.352307690E-03, -1.364188150E-05, 1.317263000E-08,
|
|
-4.683734760E-12, 2.535154080E+03, 9.079403530E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.187281870E+00, -1.386511040E-03, 9.347451530E-07, -2.070653910E-10,
|
|
1.418085170E-14, 2.107056780E+03, 7.762233940E-02</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
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|
|
<!-- species C -->
|
|
<species name="C">
|
|
<atomArray>C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.554239550E+00, -3.215377240E-04, 7.337922450E-07, -7.322348890E-10,
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|
2.665214460E-13, 8.544388320E+04, 4.531308480E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.605582980E+00, -1.959343350E-04, 1.067372190E-07, -1.642393900E-11,
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|
8.187057520E-16, 8.541294430E+04, 4.192386810E+00</floatArray>
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|
</NASA>
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|
</thermo>
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</species>
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|
|
|
<!-- species C+ -->
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|
<species name="C+">
|
|
<atomArray>C:1 E:-1 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.615239660E+00, -5.537838730E-04, 1.063486360E-06, -9.237563450E-10,
|
|
3.007745680E-13, 2.168620530E+05, 3.826529440E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.508535190E+00, -1.085992700E-05, 5.370692100E-09, -1.182705960E-12,
|
|
9.712675640E-17, 2.168794930E+05, 4.317396550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C- -->
|
|
<species name="C-">
|
|
<atomArray>C:1 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 6.993156540E+04, 3.963404030E+00</floatArray>
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|
</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 6.993156540E+04, 3.963404030E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CCL -->
|
|
<species name="CCL">
|
|
<atomArray>C:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.195355700E+00, 2.807631800E-03, -1.604384500E-06, -5.774406500E-10,
|
|
6.140973200E-13, 5.932507700E+04, 8.035173210E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.098472700E+00, 5.007784500E-04, -2.001283300E-07, 3.868099200E-11,
|
|
-2.544111300E-15, 5.907659900E+04, 3.350173610E+00</floatArray>
|
|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CCLF3 -->
|
|
<species name="CCLF3">
|
|
<atomArray>C:1 F:3 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.901193600E+00, 2.056365800E-02, -8.550863600E-06, -1.039564500E-08,
|
|
7.572182500E-12, -8.682956300E+04, 1.211506670E+01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.016509600E+01, 2.846004200E-03, -1.092602400E-06, 1.831437400E-10,
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|
-1.119405900E-14, -8.884875000E+04, -2.570411130E+01</floatArray>
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|
</NASA>
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|
</thermo>
|
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</species>
|
|
|
|
<!-- species CCL2 -->
|
|
<species name="CCL2">
|
|
<atomArray>C:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.858850500E+00, 1.395793800E-02, -2.003889800E-05, 1.350072600E-08,
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|
-3.166971500E-12, 2.736392600E+04, 1.224331310E+01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.718499900E+00, 5.344974500E-03, -2.343128400E-06, 4.180617700E-10,
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|
-2.676529500E-14, 2.755479300E+04, 9.645979540E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CCL2F2 -->
|
|
<species name="CCL2F2">
|
|
<atomArray>C:1 F:2 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.813496600E+00, 2.003683500E-02, -9.898669300E-06, -8.799535300E-09,
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|
7.121855200E-12, -6.125355100E+04, 8.990971100E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
1.070824800E+01, 2.323218600E-03, -9.007322300E-07, 1.526170200E-10,
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|
-9.443495800E-15, -6.310260200E+04, -2.662287650E+01</floatArray>
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|
</NASA>
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</thermo>
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|
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|
|
<!-- species CCL3 -->
|
|
<species name="CCL3">
|
|
<atomArray>C:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
3.715335700E+00, 1.944379600E-02, -2.462784100E-05, 1.378646400E-08,
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|
-2.663893400E-12, 7.782002000E+03, 9.716042590E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
8.781547300E+00, 1.351613000E-03, -5.824945300E-07, 1.109869700E-10,
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|
-7.793726400E-15, 6.634415100E+03, -1.531613240E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
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|
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|
|
<!-- species CCL3F -->
|
|
<species name="CCL3F">
|
|
<atomArray>C:1 F:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.828768700E+00, 1.898174000E-02, -1.036066200E-05, -7.847212700E-09,
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|
6.845275200E-12, -3.644618400E+04, 4.634137300E+00</floatArray>
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</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
1.124653000E+01, 1.783769800E-03, -6.926044300E-07, 1.174072400E-10,
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|
-7.264029200E-15, -3.810830900E+04, -2.827598580E+01</floatArray>
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</NASA>
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|
|
<!-- species CCL4 -->
|
|
<species name="CCL4">
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|
<atomArray>C:1 Cl:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
5.796629900E+00, 1.797743900E-02, -1.095654600E-05, -6.668180700E-09,
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|
6.455489800E-12, -1.394096500E+04, -5.569596350E-01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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1.173909600E+01, 1.283755300E-03, -4.965025900E-07, 8.352502000E-11,
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|
-5.110722400E-15, -1.541909000E+04, -3.077781870E+01</floatArray>
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|
<!-- species CF -->
|
|
<species name="CF">
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|
<atomArray>C:1 F:1 </atomArray>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.465514300E+00, -6.877980500E-04, 5.678476600E-06, -6.458298200E-09,
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|
2.298824800E-12, 2.965559800E+04, 5.881354890E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.686967900E+00, 9.114349100E-04, -3.646385500E-07, 6.748285400E-11,
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-4.526959600E-15, 2.947812500E+04, 4.174510090E+00</floatArray>
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|
<!-- species CF+ -->
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|
<species name="CF+">
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|
<atomArray>C:1 E:-1 F:1 </atomArray>
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<charge>1</charge>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.582850950E+00, -1.863909300E-03, 8.534353410E-06, -9.323780620E-09,
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3.339417130E-12, 1.371982480E+05, 4.074390000E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.675960840E+00, 8.528230730E-04, -3.067556610E-07, 4.974300570E-11,
|
|
-2.839690380E-15, 1.370188780E+05, 2.846088130E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CF2 -->
|
|
<species name="CF2">
|
|
<atomArray>C:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.768882100E+00, 7.237296200E-03, -1.602815200E-06, -4.551237900E-09,
|
|
2.664801100E-12, -2.301578600E+04, 1.113769580E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.226714200E+00, 2.083768000E-03, -9.903727800E-07, 2.126484800E-10,
|
|
-1.583111400E-14, -2.375584700E+04, -1.910904230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CF2+ -->
|
|
<species name="CF2+">
|
|
<atomArray>C:1 E:-1 F:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.978352200E+00, 6.033660200E-03, 6.585878500E-10, -5.212944900E-09,
|
|
2.666302100E-12, 1.121267500E+05, 1.095155630E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.155423000E+00, 2.052831000E-03, -9.117391100E-07, 1.827276100E-10,
|
|
-1.321364000E-14, 1.114312200E+05, -7.787668410E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CF3 -->
|
|
<species name="CF3">
|
|
<atomArray>C:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.065016800E+00, 1.642415800E-02, -1.083814600E-05, -8.531799700E-10,
|
|
2.387807000E-12, -5.781197600E+04, 1.570469300E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.201262200E+00, 3.066393500E-03, -1.314418100E-06, 2.499692500E-10,
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|
-1.755092800E-14, -5.923863100E+04, -1.094571000E+01</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CF3+ -->
|
|
<species name="CF3+">
|
|
<atomArray>C:1 E:-1 F:3 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.260557600E+00, 1.542232300E-02, -9.895667400E-06, -7.834504600E-10,
|
|
2.121189200E-12, 4.936533800E+04, 1.357845510E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.022540600E+00, 3.244127100E-03, -1.386487500E-06, 2.632363700E-10,
|
|
-1.846440200E-14, 4.802231800E+04, -1.120653390E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CF4 -->
|
|
<species name="CF4">
|
|
<atomArray>C:1 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.051439920E+00, 2.782464680E-02, -2.465252600E-05, 6.745483040E-09,
|
|
9.189093160E-13, -1.135740670E+05, 1.819008990E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.472153590E+00, 3.595252160E-03, -1.403785020E-06, 2.391881880E-10,
|
|
-1.485589060E-14, -1.158163370E+05, -2.497090910E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH -->
|
|
<species name="CH">
|
|
<atomArray>H:1 C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.489816650E+00, 3.238355410E-04, -1.688990650E-06, 3.162173270E-09,
|
|
-1.406090670E-12, 7.079729340E+04, 2.084011080E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.520906270E+00, 1.765372350E-03, -4.614757050E-07, 5.928854720E-11,
|
|
-3.347319620E-15, 7.113143630E+04, 7.405321630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH+ -->
|
|
<species name="CH+">
|
|
<atomArray>H:1 C:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.537965520E+00, -7.592601940E-05, -6.095667080E-07, 2.008195220E-09,
|
|
-1.008068210E-12, 1.950572290E+05, 5.232378380E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.537266930E+00, -2.051654030E-03, 1.695871700E-06, -3.510977090E-10,
|
|
2.221291970E-14, 1.946610790E+05, -5.027822240E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHCL -->
|
|
<species name="CHCL">
|
|
<atomArray>H:1 C:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.961361100E+00, 6.115191600E-03, -4.520318000E-06, 1.309338900E-09,
|
|
7.157808600E-14, 3.595998300E+04, 9.743495840E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.156603600E+00, 4.588832500E-04, 4.474902300E-07, -1.360678700E-10,
|
|
1.024244500E-14, 3.531057700E+04, -1.751161460E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHCLF2 -->
|
|
<species name="CHCLF2">
|
|
<atomArray>H:1 C:1 F:2 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.468112000E+00, 1.588394500E-02, -2.820901500E-06, -1.047813200E-08,
|
|
6.070489600E-12, -5.957087900E+04, 1.519342340E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.902982700E+00, 4.625190000E-03, -1.648986700E-06, 2.591042900E-10,
|
|
-1.483621200E-14, -6.123426600E+04, -1.373429760E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHCL2F -->
|
|
<species name="CHCL2F">
|
|
<atomArray>H:1 C:1 F:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.110715900E+00, 1.629589100E-02, -4.733118700E-06, -9.479816000E-09,
|
|
6.132375000E-12, -3.586221100E+04, 1.296384990E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.508392300E+00, 4.034571300E-03, -1.426822600E-06, 2.224730300E-10,
|
|
-1.263017300E-14, -3.742791000E+04, -1.541166210E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHCL3 -->
|
|
<species name="CHCL3">
|
|
<atomArray>H:1 C:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.681980100E+00, 1.661102100E-02, -6.618080100E-06, -8.129156000E-09,
|
|
5.943313500E-12, -1.414184400E+04, 9.983499580E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.993803000E+00, 3.565219200E-03, -1.253764800E-06, 1.947913100E-10,
|
|
-1.103202100E-14, -1.560900000E+04, -1.763169980E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHF3 -->
|
|
<species name="CHF3">
|
|
<atomArray>H:1 C:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.785709400E+00, 1.596112900E-02, -1.557501500E-06, -1.136691100E-08,
|
|
6.127529000E-12, -8.459112500E+04, 1.645759080E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.387024900E+00, 5.126692400E-03, -1.837177500E-06, 2.900464300E-10,
|
|
-1.669208900E-14, -8.636743800E+04, -1.361026120E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2 -->
|
|
<species name="CH2">
|
|
<atomArray>H:2 C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.744848790E+00, 1.179608230E-03, 1.945022640E-06, -2.529325060E-09,
|
|
1.124476310E-12, 4.557995230E+04, 1.628501250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.777231660E+00, 3.836634760E-03, -1.348532200E-06, 2.116412550E-10,
|
|
-1.234456620E-14, 4.585903040E+04, 6.672864290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2CLF -->
|
|
<species name="CH2CLF">
|
|
<atomArray>H:2 C:1 F:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.097553300E+00, 1.255189600E-02, 2.714703600E-07, -9.131984100E-09,
|
|
4.471357300E-12, -3.297361700E+04, 1.616817230E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.957278300E+00, 6.087970000E-03, -2.081375900E-06, 3.134621500E-10,
|
|
-1.708487800E-14, -3.428078100E+04, -4.879886260E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2CL2 -->
|
|
<species name="CH2CL2">
|
|
<atomArray>H:2 C:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.362612700E+00, 1.388553200E-02, -2.087216700E-06, -8.665615800E-09,
|
|
4.949431500E-12, -1.276123000E+04, 1.508490580E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.499128300E+00, 5.567234000E-03, -1.888744900E-06, 2.823339300E-10,
|
|
-1.525686900E-14, -1.404881300E+04, -7.011561590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2F2 -->
|
|
<species name="CH2F2">
|
|
<atomArray>H:2 C:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.926407800E+00, 1.052909700E-02, 3.465991500E-06, -9.685599900E-09,
|
|
3.816532200E-12, -5.550539500E+04, 1.547693920E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.298311200E+00, 6.756801200E-03, -2.340155300E-06, 3.572238100E-10,
|
|
-1.978998600E-14, -5.679921500E+04, -3.528511310E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3 -->
|
|
<species name="CH3">
|
|
<atomArray>H:3 C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.673590400E+00, 2.010951750E-03, 5.730218560E-06, -6.871174250E-09,
|
|
2.543857340E-12, 1.644499880E+04, 1.604564330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.968660330E+00, 5.807175460E-03, -1.977785340E-06, 3.072787520E-10,
|
|
-1.788538970E-14, 1.653888690E+04, 4.779445030E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3CL -->
|
|
<species name="CH3CL">
|
|
<atomArray>H:3 C:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.067244500E+00, 9.209152300E-03, 3.042605400E-06, -8.034206200E-09,
|
|
3.212744300E-12, -1.089688300E+04, 1.358395170E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.295298600E+00, 7.284682200E-03, -2.416119100E-06, 3.520583800E-10,
|
|
-1.840618500E-14, -1.179346500E+04, 8.592965290E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3F -->
|
|
<species name="CH3F">
|
|
<atomArray>H:3 C:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.265102400E+00, 6.073385500E-03, 6.982541000E-06, -8.138091100E-09,
|
|
2.103634100E-12, -2.957766400E+04, 1.184395940E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.625652300E+00, 7.968369900E-03, -2.684531900E-06, 3.984110800E-10,
|
|
-2.134863900E-14, -3.037248000E+04, 3.069903420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2OH -->
|
|
<species name="CH2OH">
|
|
<atomArray>H:3 C:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.863889180E+00, 5.596723040E-03, 5.932717910E-06, -1.045320120E-08,
|
|
4.369672780E-12, -2.505013670E+03, 5.473022430E+00</floatArray>
|
|
</NASA>
|
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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4.676256390E+00, 6.564060140E-03, -2.265254710E-06, 3.556024810E-10,
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<species name="CH3O">
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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3.265248940E+00, 3.303001170E-03, 1.704939640E-05, -2.271044760E-08,
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8.807565200E-12, 3.332814880E+02, 7.425680400E+00</floatArray>
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4.266765380E+00, 7.853801100E-03, -2.837399430E-06, 4.590396590E-10,
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<species name="CH4">
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5.149876130E+00, -1.367097880E-02, 4.918005990E-05, -4.847430260E-08,
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1.666939560E-11, -1.024664760E+04, -4.641303760E+00</floatArray>
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1.635526430E+00, 1.008427950E-02, -3.369162540E-06, 5.349586670E-10,
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<species name="CH3OH">
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<atomArray>H:4 C:1 O:1 </atomArray>
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5.715395820E+00, -1.523091290E-02, 6.524411550E-05, -7.108068890E-08,
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2.613526980E-11, -2.564276560E+04, -1.504098230E+00</floatArray>
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3.601344860E+00, 1.024309540E-02, -3.599855170E-06, 5.725059860E-10,
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-3.391176400E-14, -2.599719100E+04, 4.705122530E+00</floatArray>
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<!-- species CN -->
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<species name="CN">
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3.612935020E+00, -9.555132750E-04, 2.144297650E-06, -3.151632700E-10,
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-4.643035460E-13, 5.190079580E+04, 3.980499470E+00</floatArray>
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3.748183330E+00, 3.917532710E-05, 2.997029960E-07, -6.927045320E-11,
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4.461376910E-15, 5.172784190E+04, 2.774690440E+00</floatArray>
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<!-- species CN+ -->
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<species name="CN+">
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<atomArray>C:1 E:-1 N:1 </atomArray>
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<charge>1</charge>
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<thermo>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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6.928085050E+00, -2.814921780E-02, 7.585113760E-05, -7.241743360E-08,
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2.338915030E-11, 2.151955070E+05, -1.017305000E+01</floatArray>
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</NASA>
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7.290067130E+00, -2.463311390E-03, 9.035993080E-07, -1.359705860E-10,
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7.337098590E-15, 2.135790810E+05, -1.913403860E+01</floatArray>
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<!-- species CN- -->
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<species name="CN-">
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<atomArray>C:1 E:1 N:1 </atomArray>
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<charge>-1</charge>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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3.819628460E+00, -2.482473160E-03, 6.045678380E-06, -4.527331940E-09,
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1.156791670E-12, 6.802563360E+03, 2.389044030E+00</floatArray>
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</NASA>
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3.090519280E+00, 1.331817590E-03, -4.849022660E-07, 7.968652280E-11,
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-4.827709160E-15, 6.881956650E+03, 5.631283430E+00</floatArray>
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<!-- species CNN -->
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<species name="CNN">
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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2.782408490E+00, 1.255331100E-02, -2.130820260E-05, 1.909416370E-08,
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-6.592441870E-12, 7.495516510E+04, 9.106347360E+00</floatArray>
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4.866580840E+00, 2.384996120E-03, -8.525778320E-07, 1.384238530E-10,
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-8.184231160E-15, 7.455869200E+04, -6.775871460E-01</floatArray>
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<!-- species CO -->
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<species name="CO">
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<atomArray>C:1 O:1 </atomArray>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.579533470E+00, -6.103536800E-04, 1.016814330E-06, 9.070058840E-10,
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</NASA>
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3.048485830E+00, 1.351728180E-03, -4.857940750E-07, 7.885364860E-11,
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-4.698074890E-15, -1.426611710E+04, 6.017097900E+00</floatArray>
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<!-- species CO+ -->
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<species name="CO+">
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<atomArray>C:1 E:-1 O:1 </atomArray>
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<charge>1</charge>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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3.770571070E+00, -2.017708200E-03, 4.610761940E-06, -2.991718660E-09,
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6.060577600E-13, 1.490042670E+05, 3.381257240E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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2.930594070E+00, 1.560313910E-03, -6.162389690E-07, 1.099560190E-10,
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-6.661113070E-15, 1.491446920E+05, 7.338379280E+00</floatArray>
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<species name="COCL">
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<atomArray>C:1 O:1 Cl:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.286379200E+00, 5.086898000E-03, -5.072941100E-06, 2.964798300E-09,
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5.429123600E+00, 1.612153500E-03, -6.600628000E-07, 1.212711400E-10,
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-8.285860100E-15, -9.330500700E+03, 3.828740560E-01</floatArray>
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<species name="COCLF">
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<atomArray>C:1 F:1 O:1 Cl:1 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.706666100E+00, 2.272256500E-02, -3.011563900E-05, 2.048356600E-08,
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-5.657222800E-12, -5.261990200E+04, 1.798762570E+01</floatArray>
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7.088108100E+00, 3.181647900E-03, -1.376331600E-06, 2.654400500E-10,
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-1.892896900E-14, -5.388378100E+04, -8.684993550E+00</floatArray>
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<!-- species COCL2 -->
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|
<species name="COCL2">
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|
<atomArray>C:1 O:1 Cl:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.707879100E+00, 2.893694640E-02, -4.932891160E-05, 4.169101390E-08,
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-1.370573910E-11, -2.783509320E+04, 1.762021140E+01</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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7.860183780E+00, 2.132715000E-03, -8.220771580E-07, 1.389511330E-10,
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-8.584066530E-15, -2.910564230E+04, -1.190119070E+01</floatArray>
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|
<!-- species COF -->
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|
<species name="COF">
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|
<atomArray>C:1 O:1 F:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.201972700E+00, 5.583777000E-03, -1.490548100E-06, -2.312606900E-09,
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|
1.361435300E-12, -2.181704300E+04, 1.006073920E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.890821400E+00, 2.217970300E-03, -9.255072500E-07, 1.727012000E-10,
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-1.195534300E-14, -2.235798400E+04, 9.927840610E-01</floatArray>
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|
</NASA>
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|
|
<!-- species COF2 -->
|
|
<species name="COF2">
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|
<atomArray>C:1 O:1 F:2 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.129794890E+00, 1.410197230E-02, -5.943813590E-06, -5.305447900E-09,
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|
3.973674690E-12, -7.817453390E+04, 1.511090920E+01</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
6.816317300E+00, 3.164732820E-03, -1.217762690E-06, 2.055822610E-10,
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-1.268931250E-14, -7.954827160E+04, -9.528645740E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
|
<!-- species COS -->
|
|
<species name="COS">
|
|
<atomArray>C:1 S:1 O:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
2.462532100E+00, 1.194799200E-02, -1.379437000E-05, 8.070773600E-09,
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|
-1.832765300E-12, -1.780398700E+04, 1.080586880E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
5.239200000E+00, 2.410058400E-03, -9.606452200E-07, 1.777834700E-10,
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-1.223570400E-14, -1.848045500E+04, -3.077738890E+00</floatArray>
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|
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|
|
<!-- species CO2 -->
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|
<species name="CO2">
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|
<atomArray>C:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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2.356773520E+00, 8.984596770E-03, -7.123562690E-06, 2.459190220E-09,
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|
-1.436995480E-13, -4.837196970E+04, 9.901052220E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.636594930E+00, 2.741319910E-03, -9.958285310E-07, 1.603730110E-10,
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|
<!-- species CO2+ -->
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|
<species name="CO2+">
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|
<atomArray>C:1 E:-1 O:2 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.393056530E+00, 5.823004150E-03, 4.380120750E-08, -4.682362710E-09,
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2.315528250E-12, 1.123561510E+05, 6.390385530E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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5.612925130E+00, 1.898299940E-03, -7.345963830E-07, 1.239756650E-10,
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|
|
<!-- species COOH -->
|
|
<species name="COOH">
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|
<atomArray>H:1 C:1 O:2 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.922079150E+00, 7.624538200E-03, 3.298846830E-06, -1.071352490E-08,
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5.115873090E-12, -2.683835880E+04, 1.129259890E+01</floatArray>
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5.392062470E+00, 4.112213050E-03, -1.481948170E-06, 2.398752780E-10,
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-1.439029650E-14, -2.767087860E+04, -2.235286310E+00</floatArray>
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|
<!-- species CP -->
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|
<species name="CP">
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|
<atomArray>P:1 C:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.702914000E+00, -2.940263300E-03, 1.252637830E-05, -1.459482870E-08,
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5.619553200E-12, 6.150293320E+04, 5.349714670E+00</floatArray>
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4.169860610E+00, -3.338931540E-04, 6.305100950E-07, -1.652489160E-10,
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1.252485420E-14, 6.121210160E+04, 2.057622880E+00</floatArray>
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<!-- species CS -->
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<atomArray>C:1 S:1 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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3.403934400E+00, -6.577330800E-04, 6.171215700E-06, -7.368960400E-09,
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2.734673800E-12, 3.268939300E+04, 5.911067290E+00</floatArray>
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|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.682601200E+00, 9.047320300E-04, -3.643637400E-07, 6.385429400E-11,
|
|
-3.693398200E-15, 3.249749000E+04, 3.898416790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CS2 -->
|
|
<species name="CS2">
|
|
<atomArray>C:1 S:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.832601300E+00, 1.329079100E-02, -1.814469400E-05, 1.283168100E-08,
|
|
-3.680060900E-12, 1.276678200E+04, 9.222194110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.925261000E+00, 1.825299600E-03, -7.558538000E-07, 1.460507300E-10,
|
|
-1.043859500E-14, 1.204807100E+04, -6.058932290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2 -->
|
|
<species name="C2">
|
|
<atomArray>C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-1.962586410E+00, 5.768153100E-02, -1.580377350E-04, 1.724606360E-07,
|
|
-6.579052860E-11, 9.898833170E+04, 2.331984180E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.124873140E+00, 1.083466180E-04, 1.572508900E-07, -4.240421020E-11,
|
|
3.250557140E-15, 9.892280660E+04, 7.974210150E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2+ -->
|
|
<species name="C2+">
|
|
<atomArray>C:2 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.744384660E+00, -2.750608040E-03, 9.416979860E-06, -9.544720490E-09,
|
|
3.487434580E-12, 2.400575730E+05, 3.701688640E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.474362350E+00, 3.908584150E-03, -1.153627120E-06, 1.285227900E-10,
|
|
-4.371609390E-15, 2.408015850E+05, 1.565709560E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2- -->
|
|
<species name="C2-">
|
|
<atomArray>C:2 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.820382300E+00, -2.881624080E-03, 8.219230440E-06, -7.322548630E-09,
|
|
2.414059290E-12, 5.675239680E+04, 2.431812380E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.941477660E+00, 3.345543280E-03, -1.214013170E-06, 1.868363260E-10,
|
|
-1.034476990E-14, 5.726966690E+04, 1.200325300E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2CL2 -->
|
|
<species name="C2CL2">
|
|
<atomArray>C:2 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.022948200E+00, 1.408266700E-02, -1.809566900E-05, 1.161034800E-08,
|
|
-2.881747800E-12, 2.322748200E+04, 6.099952060E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.172854700E+00, 2.365989200E-03, -9.655250500E-07, 1.773614800E-10,
|
|
-1.213520300E-14, 2.251019000E+04, -1.490359050E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2CL4 -->
|
|
<species name="C2CL4">
|
|
<atomArray>C:2 Cl:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.143479200E+00, 3.742237200E-02, -5.436979300E-05, 3.911286300E-08,
|
|
-1.117638400E-11, -3.949262900E+03, 8.344559340E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.293593700E+01, 3.430920000E-03, -1.506719400E-06, 2.934699300E-10,
|
|
-2.107089600E-14, -5.893233700E+03, -3.468070290E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2CL6 -->
|
|
<species name="C2CL6">
|
|
<atomArray>C:2 Cl:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.638353100E+00, 6.336556100E-02, -1.008003000E-04, 7.663692200E-08,
|
|
-2.264655000E-11, -2.015651300E+04, 6.474795590E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.903428600E+01, 3.395682100E-03, -1.511528900E-06, 2.970031500E-10,
|
|
-2.145382700E-14, -2.310380300E+04, -6.285292840E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2F2 -->
|
|
<species name="C2F2">
|
|
<atomArray>C:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.534583700E+00, 1.444584500E-02, -1.218969200E-05, 3.604298500E-09,
|
|
1.911895100E-13, 9.213356200E+02, 5.419465110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.516458100E+00, 3.168646200E-03, -1.331138500E-06, 2.496004900E-10,
|
|
-1.734207200E-14, -1.610765500E+02, -1.506806220E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2F4 -->
|
|
<species name="C2F4">
|
|
<atomArray>C:2 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.616618300E+00, 2.648861800E-02, -2.243326600E-05, 6.228644500E-09,
|
|
6.214924400E-13, -8.127724200E+04, 8.523764070E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.108646800E+01, 5.278842900E-03, -2.235440000E-06, 4.216684600E-10,
|
|
-2.943391400E-14, -8.329288400E+04, -2.986688100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H -->
|
|
<species name="C2H">
|
|
<atomArray>H:1 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.889657330E+00, 1.340996110E-02, -2.847695010E-05, 2.947910450E-08,
|
|
-1.093315110E-11, 6.683939320E+04, 6.222964380E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.361183950E+00, 4.389897240E-03, -1.627722180E-06, 2.605566630E-10,
|
|
-1.529393050E-14, 6.704922140E+04, 5.571275420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2HCL -->
|
|
<species name="C2HCL">
|
|
<atomArray>H:1 C:2 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.804715800E+00, 2.583787100E-02, -4.314995400E-05, 3.588357900E-08,
|
|
-1.144799200E-11, 2.423020700E+04, 1.273775460E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.321045700E+00, 3.845973700E-03, -1.486460600E-06, 2.656137900E-10,
|
|
-1.795246600E-14, 2.344047800E+04, -8.284650860E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2HF -->
|
|
<species name="C2HF">
|
|
<atomArray>H:1 C:2 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.690177000E+00, 1.768085300E-02, -2.274985500E-05, 1.492056800E-08,
|
|
-3.738192500E-12, 1.368322300E+04, 8.146971870E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.094950100E+00, 3.943242800E-03, -1.471143800E-06, 2.529464100E-10,
|
|
-1.644666300E-14, 1.297690700E+04, -8.315342930E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CHCO,ketyl -->
|
|
<species name="CHCO,ketyl">
|
|
<atomArray>H:1 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.765939710E+00, 1.417412020E-02, -2.326009860E-05, 2.157280890E-08,
|
|
-7.585093080E-12, 1.808563240E+04, 1.054085910E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.260381100E+00, 4.827405000E-03, -1.666188440E-06, 2.614052040E-10,
|
|
-1.532579630E-14, 1.788047600E+04, 3.978743200E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H2,acetylene -->
|
|
<species name="C2H2,acetylene">
|
|
<atomArray>H:2 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.086810940E-01, 2.336156290E-02, -3.551718150E-05, 2.801524370E-08,
|
|
-8.500729740E-12, 2.642898070E+04, 1.393970510E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.658785040E+00, 4.883965470E-03, -1.608287750E-06, 2.469742260E-10,
|
|
-1.386056800E-14, 2.575940440E+04, -3.998347720E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H2,vinylidene -->
|
|
<species name="C2H2,vinylidene">
|
|
<atomArray>H:2 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.281549330E+00, 6.976427400E-03, -2.385282830E-06, -1.210770450E-09,
|
|
9.820385790E-13, 4.862179430E+04, 5.920391690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.278071390E+00, 4.756228830E-03, -1.630075130E-06, 2.546229810E-10,
|
|
-1.488603260E-14, 4.831667220E+04, 6.400226000E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH2CO,ketene -->
|
|
<species name="CH2CO,ketene">
|
|
<atomArray>H:2 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.135836300E+00, 1.811887210E-02, -1.739474740E-05, 9.343975680E-09,
|
|
-2.014576150E-12, -7.042918040E+03, 1.221564800E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.757933070E+00, 6.349114130E-03, -2.258148350E-06, 3.620267330E-10,
|
|
-2.156512040E-14, -7.978783840E+03, -6.107721500E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H3,vinyl -->
|
|
<species name="C2H3,vinyl">
|
|
<atomArray>H:3 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.212466450E+00, 1.514791620E-03, 2.592094120E-05, -3.576578470E-08,
|
|
1.471508730E-11, 3.485984680E+04, 8.510540250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.351050550E+00, 7.493300910E-03, -2.643145860E-06, 4.212859060E-10,
|
|
-2.498961190E-14, 3.415461810E+04, 5.716765290E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3CN -->
|
|
<species name="CH3CN">
|
|
<atomArray>H:3 C:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.824842210E+00, 4.101003590E-03, 2.145456790E-05, -2.872345430E-08,
|
|
1.118041460E-11, 6.288385220E+03, 5.540242110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.085769740E+00, 9.707970400E-03, -3.484849460E-06, 5.621067600E-10,
|
|
-3.362346700E-14, 5.458530740E+03, -3.265539030E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3CO,acetyl -->
|
|
<species name="CH3CO,acetyl">
|
|
<atomArray>H:3 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.125278500E+00, 9.778220200E-03, 4.521448300E-06, -9.009461600E-09,
|
|
3.193717900E-12, -4.108507800E+03, 1.124202120E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.612278900E+00, 8.449886000E-03, -2.854147200E-06, 4.238376300E-10,
|
|
-2.268403700E-14, -5.187863300E+03, -3.261781930E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H4 -->
|
|
<species name="C2H4">
|
|
<atomArray>H:4 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.959201480E+00, -7.570522470E-03, 5.709902920E-05, -6.915887530E-08,
|
|
2.698843730E-11, 5.089775930E+03, 4.097330960E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.991827610E+00, 1.048339100E-02, -3.717213850E-06, 5.946285140E-10,
|
|
-3.536305260E-14, 4.268658190E+03, -2.690521510E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H4O,ethylen -->
|
|
<species name="C2H4O,ethylen">
|
|
<atomArray>H:4 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.759049310E+00, -9.441192920E-03, 8.030967700E-05, -1.008077560E-07,
|
|
4.003983570E-11, -7.560814020E+03, 7.849770300E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.488884290E+00, 1.204602310E-02, -4.333615450E-06, 7.002690000E-10,
|
|
-4.194818700E-14, -9.180475760E+03, -7.080638680E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3CHO,ethanal -->
|
|
<species name="CH3CHO,ethanal">
|
|
<atomArray>H:4 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.729476270E+00, -3.193431610E-03, 4.753535050E-05, -5.745904740E-08,
|
|
2.193126190E-11, -2.157287990E+04, 4.102954550E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.404178990E+00, 1.172296750E-02, -4.226268300E-06, 6.837157330E-10,
|
|
-4.098426760E-14, -2.259315080E+04, -3.481175930E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3COOH -->
|
|
<species name="CH3COOH">
|
|
<atomArray>H:4 C:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.789368440E+00, 1.000010160E-02, 3.425579780E-05, -5.090179190E-08,
|
|
2.062175040E-11, -5.347522920E+04, 1.410595040E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.670836780E+00, 1.351526950E-02, -5.258746880E-06, 8.931850620E-10,
|
|
-5.531808910E-14, -5.575609710E+04, -1.546765900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species (HCOOH)2 -->
|
|
<species name="(HCOOH)2">
|
|
<atomArray>H:4 C:2 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.769238500E+00, 2.722471600E-02, 1.723805300E-06, -2.077672400E-08,
|
|
9.937994900E-12, -1.010498800E+05, 1.050549660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.220737100E+01, 1.368885100E-02, -4.684036900E-06, 7.051166300E-10,
|
|
-3.836928500E-14, -1.039593800E+05, -3.570980540E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H5 -->
|
|
<species name="C2H5">
|
|
<atomArray>H:5 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.306465680E+00, -4.186588920E-03, 4.971428070E-05, -5.991266060E-08,
|
|
2.305090040E-11, 1.284162650E+04, 4.707209240E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.288005350E+00, 1.243373740E-02, -4.413838290E-06, 7.065269430E-10,
|
|
-4.203418560E-14, 1.205642000E+04, 8.452996230E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H6 -->
|
|
<species name="C2H6">
|
|
<atomArray>H:6 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.291424920E+00, -5.501542700E-03, 5.994382880E-05, -7.084662850E-08,
|
|
2.686857710E-11, -1.152220550E+04, 2.666823160E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.046666740E+00, 1.535387660E-02, -5.470393210E-06, 8.778262280E-10,
|
|
-5.231673050E-14, -1.244735120E+04, -9.686836070E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3N2CH3 -->
|
|
<species name="CH3N2CH3">
|
|
<atomArray>H:6 C:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.296136320E+00, -2.258154270E-03, 6.212328030E-05, -7.462929970E-08,
|
|
2.803719470E-11, 1.569288500E+04, -2.499259150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.449548510E+00, 1.744061530E-02, -6.273824530E-06, 1.013511780E-09,
|
|
-6.069374940E-14, 1.419799780E+04, -1.415676380E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3OCH3 -->
|
|
<species name="CH3OCH3">
|
|
<atomArray>H:6 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.305622790E+00, -2.142542720E-03, 5.308732440E-05, -6.231471360E-08,
|
|
2.307310360E-11, -2.398662950E+04, 7.132642090E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.648441830E+00, 1.633818990E-02, -5.868023670E-06, 9.468368690E-10,
|
|
-5.665047380E-14, -2.510746900E+04, -5.962649390E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2H5OH -->
|
|
<species name="C2H5OH">
|
|
<atomArray>H:6 C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.858681780E+00, -3.740067400E-03, 6.955502670E-05, -8.865411470E-08,
|
|
3.516844300E-11, -2.999613090E+04, 4.801922940E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.562897700E+00, 1.520342640E-02, -5.389222470E-06, 8.621502240E-10,
|
|
-5.128246830E-14, -3.152579840E+04, -9.475576440E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CCN -->
|
|
<species name="CCN">
|
|
<atomArray>C:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.676007240E+00, 7.888423480E-03, -9.553266390E-06, 7.313440880E-09,
|
|
-2.480352020E-12, 9.541955350E+04, 5.816519500E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.535949400E+00, 1.933361810E-03, -7.430079930E-07, 1.256541670E-10,
|
|
-7.704200350E-15, 9.490280650E+04, -3.703806370E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CNC -->
|
|
<species name="CNC">
|
|
<atomArray>C:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.989588710E+00, 5.219778320E-03, -5.810837060E-07, -3.394165200E-09,
|
|
1.762730840E-12, 8.096563570E+04, 3.887219260E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.932596960E+00, 1.579147540E-03, -6.123335320E-07, 1.038696100E-10,
|
|
-6.431618970E-15, 8.033268330E+04, -6.602071570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2N2 -->
|
|
<species name="C2N2">
|
|
<atomArray>C:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.329253250E+00, 2.615378470E-02, -4.900039940E-05, 4.619174780E-08,
|
|
-1.643238550E-11, 3.566844240E+04, 9.863362270E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.705447690E+00, 3.642603390E-03, -1.309342500E-06, 2.164110610E-10,
|
|
-1.311874100E-14, 3.486080050E+04, -1.048036950E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C2O -->
|
|
<species name="C2O">
|
|
<atomArray>C:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.863454220E+00, 1.197329690E-02, -1.812325010E-05, 1.538136340E-08,
|
|
-5.289065240E-12, 3.375009450E+04, 8.894058810E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.515764440E+00, 1.877457040E-03, -7.011597570E-07, 1.215052910E-10,
|
|
-7.767788550E-15, 3.309704580E+04, -4.276361380E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3 -->
|
|
<species name="C3">
|
|
<atomArray>C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.432839630E+00, -4.467543830E-03, 1.493214820E-05, -1.479531380E-08,
|
|
5.014211120E-12, 9.949572220E+04, -1.587207150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.803577680E+00, 2.145112330E-03, -1.072920740E-06, 2.607352590E-10,
|
|
-2.016319600E-14, 9.939654160E+04, 3.893693080E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H3,propargyl -->
|
|
<species name="C3H3,propargyl">
|
|
<atomArray>H:3 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.828407660E+00, 2.378390360E-02, -2.192281760E-05, 1.000674440E-08,
|
|
-1.389846440E-12, 4.018630580E+04, 1.384479570E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.641758210E+00, 8.085874280E-03, -2.847878870E-06, 4.535259770E-10,
|
|
-2.688798150E-14, 3.897936990E+04, -1.040042550E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H4,allene -->
|
|
<species name="C3H4,allene">
|
|
<atomArray>H:4 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.613074870E+00, 1.212233710E-02, 1.854054000E-05, -3.452584750E-08,
|
|
1.533533890E-11, 2.154156420E+04, 1.025033190E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.316948690E+00, 1.113362620E-02, -3.962890180E-06, 6.356337750E-10,
|
|
-3.787498850E-14, 2.011746170E+04, -1.097188620E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H4,propyne -->
|
|
<species name="C3H4,propyne">
|
|
<atomArray>H:4 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.680407600E+00, 1.579944290E-02, 2.507757370E-06, -1.365845840E-08,
|
|
6.615766070E-12, 2.069163920E+04, 9.892510470E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.025310920E+00, 1.133644270E-02, -4.022290480E-06, 6.437513650E-10,
|
|
-3.829900820E-14, 1.951017920E+04, -8.589125920E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H4,cyclo- -->
|
|
<species name="C3H4,cyclo-">
|
|
<atomArray>H:4 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.246665530E+00, 5.762380840E-03, 4.420803050E-05, -6.629067860E-08,
|
|
2.818247300E-11, 3.212843890E+04, 1.334518370E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.280787300E+00, 1.123938190E-02, -4.019575260E-06, 6.469206480E-10,
|
|
-3.864332480E-14, 3.034150860E+04, -1.114199450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H5,allyl -->
|
|
<species name="C3H5,allyl">
|
|
<atomArray>H:5 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.787946930E+00, 9.484143350E-03, 2.423433680E-05, -3.656040100E-08,
|
|
1.485923560E-11, 1.862612180E+04, 7.828224990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.547611320E+00, 1.331522460E-02, -4.783331000E-06, 7.719498140E-10,
|
|
-4.619308080E-14, 1.727147070E+04, -9.274868410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H6,propylene -->
|
|
<species name="C3H6,propylene">
|
|
<atomArray>H:6 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.834645240E+00, 3.290784050E-03, 5.052281840E-05, -6.662514180E-08,
|
|
2.637075850E-11, 7.538382950E+02, 7.534109950E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.038704990E+00, 1.629638950E-02, -5.821306240E-06, 9.359364830E-10,
|
|
-5.586029030E-14, -7.765950920E+02, -8.438243220E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H6,cyclo- -->
|
|
<species name="C3H6,cyclo-">
|
|
<atomArray>H:6 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.832785550E+00, -5.210274620E-03, 9.295828370E-05, -1.227531460E-07,
|
|
4.991911540E-11, 5.195200570E+03, 1.083067000E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.216632930E+00, 1.653936140E-02, -5.900759610E-06, 9.480954730E-10,
|
|
-5.656617370E-14, 2.959375550E+03, -1.360406070E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H6O -->
|
|
<species name="C3H6O">
|
|
<atomArray>H:6 C:3 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.568510510E+00, 5.027172920E-03, 6.423156070E-05, -8.902295480E-08,
|
|
3.624237660E-11, -1.296792050E+04, 9.888382290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.945557100E+00, 1.740616780E-02, -6.254364630E-06, 1.009754570E-09,
|
|
-6.044889530E-14, -1.528676830E+04, -1.841841330E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H7,n-propyl -->
|
|
<species name="C3H7,n-propyl">
|
|
<atomArray>H:7 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.032399960E+00, 3.427283120E-03, 6.143444200E-05, -8.376463380E-08,
|
|
3.408577760E-11, 1.033938390E+04, 8.774280790E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.964684620E+00, 1.754519460E-02, -6.233700550E-06, 9.985297350E-10,
|
|
-5.943947930E-14, 8.542443580E+03, -1.148314780E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H7,i-propyl -->
|
|
<species name="C3H7,i-propyl">
|
|
<atomArray>H:7 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.408728720E+00, -8.552218250E-03, 8.421784910E-05, -1.009426830E-07,
|
|
3.869144790E-11, 9.426009560E+03, 3.623225040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.751258820E+00, 1.876057620E-02, -6.701919760E-06, 1.077518710E-09,
|
|
-6.430908850E-14, 7.979772930E+03, -4.913593550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H8 -->
|
|
<species name="C3H8">
|
|
<atomArray>H:8 C:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.211026200E+00, 1.715998030E-03, 7.061834720E-05, -9.195941160E-08,
|
|
3.644213720E-11, -1.438121060E+04, 5.609304910E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.667893630E+00, 2.061202140E-02, -7.365530270E-06, 1.184407610E-09,
|
|
-7.069532100E-14, -1.627485210E+04, -1.318595030E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H8O,1propanol -->
|
|
<species name="C3H8O,1propanol">
|
|
<atomArray>H:8 C:3 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.277994200E+00, 8.086605460E-04, 8.215481790E-05, -1.084881850E-07,
|
|
4.348868970E-11, -3.283487740E+04, 5.705268350E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.710109290E+00, 2.080514730E-02, -7.384808980E-06, 1.181889770E-09,
|
|
-7.035977830E-14, -3.512440240E+04, -1.889654530E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3H8O,2propanol -->
|
|
<species name="C3H8O,2propanol">
|
|
<atomArray>H:8 C:3 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.308030270E+00, 1.024980100E-02, 6.198578050E-05, -9.033110880E-08,
|
|
3.740653720E-11, -3.492488430E+04, 7.558262540E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.642711130E+00, 2.002244130E-02, -7.119483640E-06, 1.141363550E-09,
|
|
-6.799216670E-14, -3.748400950E+04, -2.563460740E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C3O2 -->
|
|
<species name="C3O2">
|
|
<atomArray>C:3 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.196682110E+00, 3.145531380E-02, -5.074586230E-05, 4.357943980E-08,
|
|
-1.473517870E-11, -1.294609800E+04, 1.329852640E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.461759200E+00, 4.815528250E-03, -1.809307590E-06, 3.007870800E-10,
|
|
-1.837221620E-14, -1.432716540E+04, -1.706056880E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4 -->
|
|
<species name="C4">
|
|
<atomArray>C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.322734820E+00, 2.025964530E-02, -3.734660710E-05, 3.568782550E-08,
|
|
-1.277273820E-11, 1.227236380E+05, 6.809948290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.630914940E+00, 4.831163970E-03, -1.504056420E-06, 2.028723570E-10,
|
|
-1.003456870E-14, 1.225008790E+05, -2.989547310E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H2 -->
|
|
<species name="C4H2">
|
|
<atomArray>H:2 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-4.071323930E-01, 5.207751430E-02, -9.211383400E-05, 8.086574030E-08,
|
|
-2.704220800E-11, 5.259573670E+04, 2.032402230E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.667048950E+00, 6.715051910E-03, -2.353550600E-06, 3.736353660E-10,
|
|
-2.210540430E-14, 5.100169780E+04, -2.180020500E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H4,1,3-cyclo- -->
|
|
<species name="C4H4,1,3-cyclo-">
|
|
<atomArray>H:4 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.278953180E+00, 1.342033500E-02, 4.119920630E-05, -6.989567270E-08,
|
|
3.072521200E-11, 4.508640970E+04, 1.767877880E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.042077510E+00, 1.252021740E-02, -4.523370470E-06, 7.331204430E-10,
|
|
-4.401108640E-14, 4.251084940E+04, -2.112844830E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H6,butadiene -->
|
|
<species name="C4H6,butadiene">
|
|
<atomArray>H:6 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.685304240E+00, 1.961200120E-02, 4.465235710E-05, -8.315231140E-08,
|
|
3.806512260E-11, 1.160757090E+04, 1.675459670E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.600101390E+01, 3.918251150E-03, 1.143557330E-06, -2.079257480E-10,
|
|
7.577135510E-15, 6.517082210E+03, -6.282041450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H6,2-butyne -->
|
|
<species name="C4H6,2-butyne">
|
|
<atomArray>H:6 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.424816990E+00, 2.653800040E-03, 5.304432810E-05, -6.713920950E-08,
|
|
2.581900810E-11, 1.546412160E+04, 5.409674090E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.932320900E+00, 1.864258730E-02, -6.823591040E-06, 1.119104850E-09,
|
|
-6.767831130E-14, 1.403095580E+04, -1.220842830E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H6,cyclo- -->
|
|
<species name="C4H6,cyclo-">
|
|
<atomArray>H:6 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.916334330E+00, -3.205848100E-03, 1.002635710E-04, -1.342481670E-07,
|
|
5.466701000E-11, 1.747322360E+04, 1.248171830E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.848582530E+00, 1.808128920E-02, -6.531866440E-06, 1.058421230E-09,
|
|
-6.352539390E-14, 1.461534610E+04, -2.089802570E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H8,1-butene -->
|
|
<species name="C4H8,1-butene">
|
|
<atomArray>H:8 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.426740730E+00, 6.639462490E-03, 6.806528150E-05, -9.287535620E-08,
|
|
3.734739490E-11, -2.115327960E+03, 7.546948600E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.021479910E+00, 2.260107070E-02, -8.312840330E-06, 1.378030720E-09,
|
|
-8.421754590E-14, -4.308521530E+03, -1.711706970E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H8,cis2-buten -->
|
|
<species name="C4H8,cis2-buten">
|
|
<atomArray>H:8 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.444178170E+00, -5.204516940E-03, 9.629065770E-05, -1.200688140E-07,
|
|
4.681948250E-11, -2.917414720E+03, 3.460507330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.083350250E+00, 2.349824300E-02, -8.644830790E-06, 1.431601070E-09,
|
|
-8.737626420E-14, -4.923202660E+03, -1.287093170E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H8,tr2-butene -->
|
|
<species name="C4H8,tr2-butene">
|
|
<atomArray>H:8 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.572789670E+00, 3.765410170E-03, 6.522267080E-05, -8.309095220E-08,
|
|
3.203113420E-11, -3.579033010E+03, 5.377967080E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.625146700E+00, 2.304510420E-02, -8.494248640E-06, 1.411525540E-09,
|
|
-8.647517570E-14, -5.401028150E+03, -1.619870800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H8,isobutene -->
|
|
<species name="C4H8,isobutene">
|
|
<atomArray>H:8 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.680497270E+00, 1.694144450E-02, 3.519635550E-05, -5.431668560E-08,
|
|
2.202016360E-11, -4.120993080E+03, 8.114571490E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.835553300E+00, 2.274596790E-02, -8.365175490E-06, 1.390762500E-09,
|
|
-8.533299690E-14, -6.163563220E+03, -1.765407190E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H8,cyclo- -->
|
|
<species name="C4H8,cyclo-">
|
|
<atomArray>H:8 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.811447200E+00, -9.680499980E-03, 1.279176940E-04, -1.630571250E-07,
|
|
6.483147900E-11, 1.871079300E+03, 8.609981960E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.763310540E+00, 2.306533500E-02, -8.259837580E-06, 1.334123890E-09,
|
|
-7.993633020E-14, -1.176720080E+03, -2.191482110E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species (CH3COOH)2 -->
|
|
<species name="(CH3COOH)2">
|
|
<atomArray>H:8 C:4 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.754817430E+00, 1.389188970E-02, 8.329556090E-05, -1.200218550E-07,
|
|
4.906796450E-11, -1.151856690E+05, -1.224468140E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.582452080E+01, 2.618351170E-02, -9.460983580E-06, 1.533376160E-09,
|
|
-9.204765450E-14, -1.190391410E+05, -5.110976170E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H9,n-butyl -->
|
|
<species name="C4H9,n-butyl">
|
|
<atomArray>H:9 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.824305400E+00, 5.503090800E-03, 7.493003300E-05, -1.020859430E-07,
|
|
4.134847140E-11, 5.540780490E+03, 2.176095090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.189756150E+00, 2.363222670E-02, -8.642709850E-06, 1.427705150E-09,
|
|
-8.702037160E-14, 3.377029090E+03, -2.156005600E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H9,i-butyl -->
|
|
<species name="C4H9,i-butyl">
|
|
<atomArray>H:9 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.548852350E+00, 1.787476380E-02, 5.007828250E-05, -7.944750710E-08,
|
|
3.358023540E-11, 4.740115880E+03, 1.118493820E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.430406070E+00, 2.342713490E-02, -8.535991820E-06, 1.397483550E-09,
|
|
-8.440574560E-14, 2.142148620E+03, -2.422079940E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H9,s-butyl -->
|
|
<species name="C4H9,s-butyl">
|
|
<atomArray>H:9 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.039306070E+00, 4.093871000E-04, 9.155741120E-05, -1.194117130E-07,
|
|
4.750439870E-11, 6.423272360E+03, 8.243604440E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.426119390E+00, 2.393792650E-02, -8.560357830E-06, 1.377351600E-09,
|
|
-8.224960050E-14, 3.964842530E+03, -1.698768750E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H9,t-butyl -->
|
|
<species name="C4H9,t-butyl">
|
|
<atomArray>H:9 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.873271330E+00, -1.851463060E-02, 1.305601160E-04, -1.508327550E-07,
|
|
5.653582820E-11, 4.109589380E+03, 2.300166040E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.630746560E+00, 2.593537450E-02, -9.371631110E-06, 1.518458900E-09,
|
|
-9.111908630E-14, 2.008613230E+03, -9.205814400E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H10,isobutane -->
|
|
<species name="C4H10,isobutane">
|
|
<atomArray>H:10 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.454792760E+00, 8.260579850E-03, 8.298866640E-05, -1.146476420E-07,
|
|
4.645701010E-11, -1.845939310E+04, 4.927431750E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.769912450E+00, 2.549972100E-02, -9.141429320E-06, 1.473282710E-09,
|
|
-8.808001880E-14, -2.140526470E+04, -3.003291010E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4H10,n-butane -->
|
|
<species name="C4H10,n-butane">
|
|
<atomArray>H:10 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.147468060E+00, 1.559473890E-04, 9.679135170E-05, -1.254839100E-07,
|
|
4.978165550E-11, -1.759944020E+04, -1.094098790E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.445358340E+00, 2.578580730E-02, -9.236191220E-06, 1.486327550E-09,
|
|
-8.878971580E-14, -2.013821650E+04, -2.634700760E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C4N2 -->
|
|
<species name="C4N2">
|
|
<atomArray>C:4 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.281168450E+00, 4.612735130E-02, -8.532932430E-05, 7.934077790E-08,
|
|
-2.803563990E-11, 6.204010130E+04, 1.128981740E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.048548000E+01, 5.695448890E-03, -2.127455470E-06, 3.523231960E-10,
|
|
-2.146317290E-14, 6.046206300E+04, -2.722665020E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5 -->
|
|
<species name="C5">
|
|
<atomArray>C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.358730230E+00, 3.243508750E-02, -5.930584700E-05, 5.601148640E-08,
|
|
-2.030751760E-11, 1.243762420E+05, 6.049158480E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.574568880E+00, 3.860167980E-03, -1.475580140E-06, 2.480488330E-10,
|
|
-1.526602530E-14, 1.230535170E+05, -2.371379800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H6,1,3cyclo- -->
|
|
<species name="C5H6,1,3cyclo-">
|
|
<atomArray>H:6 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.610440320E-01, 1.480458700E-02, 7.210720840E-05, -1.133783980E-07,
|
|
4.868904820E-11, 1.480175480E+04, 2.135362590E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.975827450E+00, 1.890552330E-02, -6.841103000E-06, 1.109921170E-09,
|
|
-6.667914270E-14, 1.108167270E+04, -3.220968920E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H8,cyclo- -->
|
|
<species name="C5H8,cyclo-">
|
|
<atomArray>H:8 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.689805140E+00, 2.096355330E-03, 1.130344590E-04, -1.540775810E-07,
|
|
6.276235640E-11, 2.458270670E+03, 1.530750400E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.642824230E+00, 2.425628340E-02, -8.720895030E-06, 1.411908680E-09,
|
|
-8.472678480E-14, -1.292550320E+03, -3.012256060E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H10,1-pentene -->
|
|
<species name="C5H10,1-pentene">
|
|
<atomArray>H:10 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.883564560E+00, 5.104012670E-03, 9.782821560E-05, -1.323892270E-07,
|
|
5.322315070E-11, -5.168230680E+03, 3.419870310E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.173970550E+01, 2.574670710E-02, -9.259887010E-06, 1.514978850E-09,
|
|
-9.178839390E-14, -8.462748390E+03, -3.543756190E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H10,cyclo- -->
|
|
<species name="C5H10,cyclo-">
|
|
<atomArray>H:10 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.703279550E+00, -1.155653540E-02, 1.641114390E-04, -2.093681340E-07,
|
|
8.310545070E-11, -1.109517860E+04, 1.197777610E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.132957900E+00, 3.011304300E-02, -1.091691370E-05, 1.772987670E-09,
|
|
-1.065752480E-13, -1.515973720E+04, -2.926188280E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H11,pentyl -->
|
|
<species name="C5H11,pentyl">
|
|
<atomArray>H:11 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.174014320E+00, 3.809215880E-03, 1.043790650E-04, -1.396340500E-07,
|
|
5.603951170E-11, 2.528709020E+03, -1.188686300E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.129851350E+01, 2.973142150E-02, -1.097727140E-05, 1.827088950E-09,
|
|
-1.119960260E-13, -2.397641670E+02, -3.103959100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H11,t-pentyl -->
|
|
<species name="C5H11,t-pentyl">
|
|
<atomArray>H:11 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.446225330E+00, -9.541777630E-03, 1.378913620E-04, -1.692416310E-07,
|
|
6.530971270E-11, 1.508375060E+03, 5.430917420E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.231210010E+00, 3.116883830E-02, -1.124785860E-05, 1.820906580E-09,
|
|
-1.092053950E-13, -1.600694980E+03, -2.061419740E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H12,n-pentane -->
|
|
<species name="C5H12,n-pentane">
|
|
<atomArray>H:12 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.898367900E+00, 4.120303700E-02, 1.231217500E-05, -3.658950100E-08,
|
|
1.504250900E-11, -2.009150000E+04, 1.867908200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.354699800E+01, 2.842178600E-02, -9.417464800E-06, 1.389358900E-09,
|
|
-7.421260900E-14, -2.457768000E+04, -4.702117500E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C5H12,i-pentane -->
|
|
<species name="C5H12,i-pentane">
|
|
<atomArray>H:12 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.083288200E+00, 4.457107600E-02, 8.238993400E-06, -3.525804700E-08,
|
|
1.578576200E-11, -2.080753500E+04, 2.179515500E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.232778700E+01, 3.061308700E-02, -9.841578500E-06, 1.391977600E-09,
|
|
-7.033734500E-14, -2.503749200E+04, -4.113349400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CH3C(CH3)2CH3 -->
|
|
<species name="CH3C(CH3)2CH3">
|
|
<atomArray>H:12 C:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.263899400E-01, 4.812547600E-02, 1.591745800E-06, -2.669245800E-08,
|
|
1.207828200E-11, -2.240798000E+04, 1.832721400E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.011041600E+01, 3.534956600E-02, -1.103996700E-05, 1.477772100E-09,
|
|
-6.846704200E-14, -2.580671100E+04, -3.375698400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H2 -->
|
|
<species name="C6H2">
|
|
<atomArray>H:2 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-5.944050260E-01, 7.466133290E-02, -1.358479800E-04, 1.221981000E-07,
|
|
-4.176967510E-11, 7.841922040E+04, 2.211787800E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.252380600E+01, 8.785962820E-03, -3.136631730E-06, 5.043459080E-10,
|
|
-3.011097000E-14, 7.607710370E+04, -3.885012450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H5,phenyl -->
|
|
<species name="C6H5,phenyl">
|
|
<atomArray>H:5 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.097250320E-01, 1.932994840E-02, 5.940790070E-05, -9.850841470E-08,
|
|
4.254247550E-11, 3.913456770E+04, 2.302992940E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.077022000E+01, 1.838485970E-02, -6.699859510E-06, 1.092256200E-09,
|
|
-6.584144390E-14, 3.520403280E+04, -3.501468370E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6D5 -->
|
|
<species name="C6D5">
|
|
<atomArray>C:6 D:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-1.254978200E+00, 4.732876600E-02, -8.075988300E-06, -2.990197200E-08,
|
|
1.714906000E-11, 3.531406300E+04, 2.978014600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.472949200E+01, 1.521053500E-02, -5.524163500E-06, 8.798457500E-10,
|
|
-5.097921700E-14, 3.028262900E+04, -5.575496400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H5O,phenoxy -->
|
|
<species name="C6H5O,phenoxy">
|
|
<atomArray>H:5 C:6 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.762964460E-02, 3.305749150E-02, 3.603562560E-05, -7.931654260E-08,
|
|
3.643286230E-11, 4.065393830E+03, 2.575989200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.315151340E+01, 1.901655070E-02, -6.946955920E-06, 1.134421720E-09,
|
|
-6.846342030E-14, -4.729682660E+02, -4.671072250E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H6 -->
|
|
<species name="C6H6">
|
|
<atomArray>H:6 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.034696640E-01, 1.851423630E-02, 7.378644090E-05, -1.181061270E-07,
|
|
5.071825270E-11, 8.552662930E+03, 2.164817960E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.107717080E+01, 2.070678950E-02, -7.516251000E-06, 1.222094160E-09,
|
|
-7.353125130E-14, 4.309883950E+03, -4.001169500E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6D6 -->
|
|
<species name="C6D6">
|
|
<atomArray>C:6 D:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-2.070121800E+00, 5.293819700E-02, -9.607482800E-06, -3.280237200E-08,
|
|
1.901252800E-11, 5.406898400E+03, 3.069387300E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.561986400E+01, 1.712393400E-02, -6.201275900E-06, 9.849305800E-10,
|
|
-5.689155700E-14, -1.443305200E+02, -6.388818900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H5OH,phenol -->
|
|
<species name="C6H5OH,phenol">
|
|
<atomArray>H:6 C:6 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-2.910492290E-01, 4.085678420E-02, 2.428235450E-05, -7.144767570E-08,
|
|
3.460030440E-11, -1.341292310E+04, 2.687488860E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.415536740E+01, 1.993494980E-02, -7.182171320E-06, 1.162286800E-09,
|
|
-6.971458400E-14, -1.812873420E+04, -5.179914120E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H10,cyclo- -->
|
|
<species name="C6H10,cyclo-">
|
|
<atomArray>H:10 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.366278040E+00, 1.068141580E-02, 1.182222430E-04, -1.656799130E-07,
|
|
6.761337860E-11, -2.482503580E+03, 1.676920330E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.177338890E+01, 3.094827430E-02, -1.123472620E-05, 1.826320450E-09,
|
|
-1.098556830E-13, -7.202632330E+03, -4.265579330E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H12,1-hexene -->
|
|
<species name="C6H12,1-hexene">
|
|
<atomArray>H:12 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.315398300E+00, 3.709037580E-03, 1.272557230E-04, -1.715622330E-07,
|
|
6.898245210E-11, -8.209162390E+03, -5.957824360E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.512688200E+01, 2.949751920E-02, -1.054111890E-05, 1.721313940E-09,
|
|
-1.042188530E-13, -1.248615900E+04, -5.193517580E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H12,cyclo- -->
|
|
<species name="C6H12,cyclo-">
|
|
<atomArray>H:12 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.043487640E+00, -6.195274240E-03, 1.766210860E-04, -2.229678090E-07,
|
|
8.636673900E-11, -1.692028720E+04, 8.525667660E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.321475620E+01, 3.582424100E-02, -1.321105950E-05, 2.172022540E-09,
|
|
-1.317305400E-13, -2.280919540E+04, -5.535264640E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C6H13,n-hexyl -->
|
|
<species name="C6H13,n-hexyl">
|
|
<atomArray>H:13 C:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.763449540E+00, 2.162438500E-03, 1.316740840E-04, -1.738274520E-07,
|
|
6.925150090E-11, -5.426281150E+02, -5.917269780E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.403019770E+01, 3.471140290E-02, -1.268361030E-05, 2.093659020E-09,
|
|
-1.276279850E-13, -4.069078900E+03, -4.396438240E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H7,benzyl -->
|
|
<species name="C7H7,benzyl">
|
|
<atomArray>H:7 C:7 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.811457110E-01, 3.851269430E-02, 3.286183410E-05, -7.697286030E-08,
|
|
3.542302670E-11, 2.330702100E+04, 2.354870000E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.404356270E+01, 2.349462090E-02, -8.537869990E-06, 1.389145230E-09,
|
|
-8.361836590E-14, 1.856436970E+04, -5.166323940E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H8 -->
|
|
<species name="C7H8">
|
|
<atomArray>H:8 C:7 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.611914000E+00, 2.111889020E-02, 8.532214530E-05, -1.325668760E-07,
|
|
5.594061090E-11, 4.096519760E+03, 2.029736140E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.293947500E+01, 2.669215580E-02, -9.684201080E-06, 1.573921400E-09,
|
|
-9.466704820E-14, -6.770357690E+02, -4.672553020E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H8O,cresol -->
|
|
<species name="C7H8O,cresol">
|
|
<atomArray>H:8 C:7 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.980260290E-01, 4.672849340E-02, 2.736173620E-05, -7.758232780E-08,
|
|
3.689483500E-11, -1.833240870E+04, 2.423031790E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.651794990E+01, 2.547216040E-02, -9.187812490E-06, 1.487726750E-09,
|
|
-8.926171800E-14, -2.361167750E+04, -6.193862240E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H14,1-heptene -->
|
|
<species name="C7H14,1-heptene">
|
|
<atomArray>H:14 C:7 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.705756230E+00, 2.797880480E-03, 1.552122600E-04, -2.090201140E-07,
|
|
8.405272240E-11, -1.126613850E+04, -4.453418730E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.849724840E+01, 3.325759900E-02, -1.181503300E-05, 1.925132780E-09,
|
|
-1.164418860E-13, -1.651420440E+04, -6.830951380E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H15,n-heptyl -->
|
|
<species name="C7H15,n-heptyl">
|
|
<atomArray>H:15 C:7 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.028041360E+01, 7.015535660E-04, 1.595513470E-04, -2.095931790E-07,
|
|
8.334453180E-11, -3.603073110E+03, -1.030209400E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.641171070E+01, 4.036029010E-02, -1.478231880E-05, 2.444145600E-09,
|
|
-1.491603740E-13, -7.763109200E+03, -5.495318280E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C7H16,n-heptane -->
|
|
<species name="C7H16,n-heptane">
|
|
<atomArray>H:16 C:7 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.115324840E+01, -9.494154330E-03, 1.955711810E-04, -2.497525200E-07,
|
|
9.848732130E-11, -2.677117350E+04, -1.590961100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.853547040E+01, 3.914204680E-02, -1.380302680E-05, 2.224038740E-09,
|
|
-1.334525800E-13, -3.195007830E+04, -7.019028400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H8,styrene -->
|
|
<species name="C8H8,styrene">
|
|
<atomArray>H:8 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.181757690E+00, 3.348760250E-02, 6.923662530E-05, -1.244904190E-07,
|
|
5.493847350E-11, 1.560390620E+04, 2.266249800E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.588133340E+01, 2.683740550E-02, -9.902445610E-06, 1.637591410E-09,
|
|
-9.984489720E-14, 1.008478040E+04, -6.094193190E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H10,ethylbenz -->
|
|
<species name="C8H10,ethylbenz">
|
|
<atomArray>H:10 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.515349630E+00, 1.781456810E-02, 1.189340120E-04, -1.756397640E-07,
|
|
7.320610990E-11, 1.020385950E+03, 1.415396290E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.557607590E+01, 3.230645790E-02, -1.190027230E-05, 1.967925420E-09,
|
|
-1.199111640E-13, -4.411575160E+03, -5.910438770E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H16,1-octene -->
|
|
<species name="C8H16,1-octene">
|
|
<atomArray>H:16 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.014878600E+01, 1.251075380E-03, 1.852527360E-04, -2.490941620E-07,
|
|
1.002503950E-10, -1.432674530E+04, -8.507744180E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.201340860E+01, 3.679721740E-02, -1.298304820E-05, 2.108546370E-09,
|
|
-1.272941580E-13, -2.061098350E+04, -8.553371700E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H17,n-octyl -->
|
|
<species name="C8H17,n-octyl">
|
|
<atomArray>H:17 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.180825180E+01, -8.503481360E-04, 1.876977000E-04, -2.456907020E-07,
|
|
9.758130270E-11, -6.664504420E+03, -1.472984870E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.879680430E+01, 4.600485230E-02, -1.687901260E-05, 2.794224770E-09,
|
|
-1.706638860E-13, -1.145925780E+04, -6.596222060E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H18,isooctane -->
|
|
<species name="C8H18,isooctane">
|
|
<atomArray>H:18 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.157373380E-01, 7.326439590E-02, 1.783006880E-05, -6.935896200E-08,
|
|
3.216293820E-11, -3.047728620E+04, 2.415099940E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.598992730E+01, 5.531847900E-02, -1.952670720E-05, 3.117791720E-09,
|
|
-1.853125770E-13, -3.587579730E+04, -6.011614140E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C8H18,n-octane -->
|
|
<species name="C8H18,n-octane">
|
|
<atomArray>H:18 C:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.252449080E+01, -1.010183650E-02, 2.219915950E-04, -2.848624200E-07,
|
|
1.124096240E-10, -2.984330340E+04, -1.971085540E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.217554070E+01, 4.244261610E-02, -1.491611030E-05, 2.403766730E-09,
|
|
-1.443590370E-13, -3.610309440E+04, -8.808544570E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C9H19,n-nonyl -->
|
|
<species name="C9H19,n-nonyl">
|
|
<atomArray>H:19 C:9 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.875648500E+00, 7.579278900E-02, 1.346243100E-05, -6.408839700E-08,
|
|
2.869417200E-11, -8.683453100E+03, 2.426224100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.919526700E+01, 5.543924900E-02, -2.143660100E-05, 3.788514400E-09,
|
|
-2.500298700E-13, -1.437371100E+04, -6.605628600E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C10H8,naphthale -->
|
|
<species name="C10H8,naphthale">
|
|
<atomArray>H:8 C:10 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-1.049193260E+00, 4.629706110E-02, 7.075922030E-05, -1.384081860E-07,
|
|
6.204757480E-11, 1.598463880E+04, 3.021215710E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.861298990E+01, 3.044941410E-02, -1.112247990E-05, 1.816154060E-09,
|
|
-1.096012240E-13, 8.915529440E+03, -8.002304790E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C10H21,n-decyl -->
|
|
<species name="C10H21,n-decyl">
|
|
<atomArray>H:21 C:10 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.089700700E+00, 8.411794900E-02, 1.590183800E-05, -7.238793400E-08,
|
|
3.226692500E-11, -1.161494100E+04, 2.528119290E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.132212800E+01, 6.157352400E-02, -2.384948300E-05, 4.220911600E-09,
|
|
-2.788930700E-13, -1.796780900E+04, -7.564378010E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C12H9,o-bipheny -->
|
|
<species name="C12H9,o-bipheny">
|
|
<atomArray>H:9 C:12 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.076491560E-01, 5.427978410E-02, 7.125147010E-05, -1.444044900E-07,
|
|
6.485005750E-11, 4.853498370E+04, 2.819825150E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.256934210E+01, 3.456193860E-02, -1.270207880E-05, 2.081118270E-09,
|
|
-1.258494800E-13, 4.059050910E+04, -9.577923900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species O-C12D9 -->
|
|
<species name="O-C12D9">
|
|
<atomArray>C:12 D:9 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-7.329939600E-01, 8.983689500E-02, -1.373127500E-05, -5.942702000E-08,
|
|
3.370243000E-11, 4.294309400E+04, 3.004195600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.012319900E+01, 2.832825500E-02, -1.036654000E-05, 1.659333800E-09,
|
|
-9.652711600E-14, 3.320778900E+04, -1.351913070E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C12H10,bipheny -->
|
|
<species name="C12H10,bipheny">
|
|
<atomArray>H:10 C:12 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.945661860E-01, 5.352643680E-02, 8.549967010E-05, -1.639036060E-07,
|
|
7.299772170E-11, 1.900204310E+04, 2.721512710E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.289648920E+01, 3.684525700E-02, -1.350162700E-05, 2.208028080E-09,
|
|
-1.333582230E-13, 1.073944990E+04, -1.005101480E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species C12D10 -->
|
|
<species name="C12D10">
|
|
<atomArray>C:12 D:10 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-1.579348600E+00, 9.505957400E-02, -1.453207100E-05, -6.264559700E-08,
|
|
3.553007900E-11, 1.313742200E+04, 3.152984100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.090506000E+01, 3.034998800E-02, -1.109504800E-05, 1.775581000E-09,
|
|
-1.033232700E-13, 2.883445300E+03, -1.424389370E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Jet-A(g) -->
|
|
<species name="Jet-A(g)">
|
|
<atomArray>H:23 C:12 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="273.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.086921700E+00, 1.331496500E-01, -8.115745200E-05, 2.940928600E-08,
|
|
-6.519521300E-12, -3.591281400E+04, 2.735529720E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.488020100E+01, 7.825004800E-02, -3.155097300E-05, 5.787890000E-09,
|
|
-3.982796800E-13, -4.311068400E+04, -9.365524680E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ca -->
|
|
<species name="Ca">
|
|
<atomArray>Ca:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 2.063892790E+04, 4.384548330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.927076230E+00, 1.349091670E-03, -1.075158620E-06, 3.254578650E-10,
|
|
-2.646715380E-14, 2.081962100E+04, 7.428783980E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ca+ -->
|
|
<species name="Ca+">
|
|
<atomArray>Ca:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 9.232421060E+04, 5.077675030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.642214380E+00, -1.605173590E-04, -2.708439660E-08, 5.135224960E-11,
|
|
-5.964870480E-15, 9.225963790E+04, 4.253726280E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaBr -->
|
|
<species name="CaBr">
|
|
<atomArray>Ca:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.851187700E+00, 3.027148100E-03, -5.509780700E-06, 4.676457100E-09,
|
|
-1.495996000E-12, -7.183723900E+03, 7.778032890E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.321736300E+00, 4.090367400E-04, -2.454153100E-07, 6.902687400E-11,
|
|
-5.368419600E-15, -7.246273200E+03, 5.676680590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaBr2 -->
|
|
<species name="CaBr2">
|
|
<atomArray>Ca:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.605715700E+00, 3.605889200E-03, -5.831465000E-06, 4.263480100E-09,
|
|
-1.166727800E-12, -4.838296300E+04, -6.310522810E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.415163900E+00, 9.654901300E-05, -4.246381600E-08, 8.228686500E-12,
|
|
-5.861705700E-16, -4.853682400E+04, -4.480801620E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaCL -->
|
|
<species name="CaCL">
|
|
<atomArray>Ca:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.673051500E+00, 3.314416400E-03, -5.168243500E-06, 3.711126700E-09,
|
|
-9.968703100E-13, -1.378414400E+04, 7.336796410E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.306711600E+00, 4.008496300E-04, -2.331366100E-07, 6.392179700E-11,
|
|
-4.866238300E-15, -1.389265600E+04, 4.373374210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaCL2 -->
|
|
<species name="CaCL2">
|
|
<atomArray>Ca:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.161336300E+00, 5.306042900E-03, -8.464946300E-06, 6.112889700E-09,
|
|
-1.652236200E-12, -5.872293500E+04, -1.448297350E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.365001400E+00, 1.532710800E-04, -6.727528500E-08, 1.301413100E-11,
|
|
-9.256796800E-16, -5.895473100E+04, -7.188520850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaF -->
|
|
<species name="CaF">
|
|
<atomArray>Ca:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.050899000E+00, 5.154943900E-03, -7.350829600E-06, 4.787645800E-09,
|
|
-1.152315500E-12, -3.379234500E+04, 8.988008870E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.198862100E+00, 4.924409300E-04, -2.610212300E-07, 6.479163500E-11,
|
|
-4.730395100E-15, -3.402112900E+04, 3.463147570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaF2 -->
|
|
<species name="CaF2">
|
|
<atomArray>Ca:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.230815200E+00, 1.025580500E-02, -1.544434500E-05, 1.054679100E-08,
|
|
-2.684391600E-12, -9.595526100E+04, 6.367806530E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.654343100E+00, 3.905269200E-04, -1.708107000E-07, 3.295284000E-11,
|
|
-2.338774100E-15, -9.644527900E+04, -5.310721170E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaI -->
|
|
<species name="CaI">
|
|
<atomArray>I:1 Ca:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.023910100E+00, 2.255997800E-03, -4.093983300E-06, 3.484005100E-09,
|
|
-1.116299600E-12, -1.877051100E+03, 7.990310650E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.319847100E+00, 4.346669100E-04, -2.744192000E-07, 8.008044100E-11,
|
|
-6.545160800E-15, -1.906480400E+03, 6.714802350E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaI2 -->
|
|
<species name="CaI2">
|
|
<atomArray>I:2 Ca:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.564172700E+00, 4.268465000E-03, -7.924758300E-06, 6.720560000E-09,
|
|
-2.148546100E-12, -3.313828200E+04, 1.022092280E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.423866500E+00, 8.855535800E-05, -3.984689300E-08, 7.891835700E-12,
|
|
-5.735265800E-16, -3.328775200E+04, -2.978445420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaO -->
|
|
<species name="CaO">
|
|
<atomArray>Ca:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.671860200E+00, 6.432402500E-03, -9.572703000E-06, 6.762042400E-09,
|
|
-1.817304900E-12, 4.273453100E+03, 9.654226790E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.174586500E+00, -1.064323400E-02, 7.696896800E-06, -1.907044300E-09,
|
|
1.550923100E-13, 2.324804100E+03, -2.442758250E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaOH -->
|
|
<species name="CaOH">
|
|
<atomArray>H:1 Ca:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.100485200E+00, 1.869515900E-02, -3.350664400E-05, 2.802563800E-08,
|
|
-8.799268900E-12, -2.453091500E+04, 1.203876350E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.275475900E+00, 1.802562000E-03, -6.843564800E-07, 1.306019600E-10,
|
|
-8.913158000E-15, -2.498468100E+04, -2.311085410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaOH+ -->
|
|
<species name="CaOH+">
|
|
<atomArray>H:1 Ca:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.156646000E+00, 1.851867600E-02, -3.326822200E-05, 2.787222000E-08,
|
|
-8.760801000E-12, 4.316839500E+04, 1.109276610E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.405108700E+00, 1.524500300E-03, -4.783080800E-07, 7.134721600E-11,
|
|
-4.129834900E-15, 4.268593300E+04, -3.669811290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaO2H2 -->
|
|
<species name="CaO2H2">
|
|
<atomArray>H:2 Ca:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.322216600E+00, 3.751568200E-02, -6.799651300E-05, 5.729026300E-08,
|
|
-1.808147500E-11, -7.532286300E+04, 1.248796110E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.858203600E+00, 2.994190900E-03, -9.321929900E-07, 1.378838600E-10,
|
|
-7.911198500E-15, -7.627949600E+04, -1.713930390E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CaS -->
|
|
<species name="CaS">
|
|
<atomArray>Ca:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.225860080E+00, 5.306404180E-03, -8.765276390E-06, 6.426010540E-09,
|
|
-1.615290350E-12, 1.373348660E+04, 8.348920800E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.357077520E+00, -4.183925130E-03, 4.682913750E-06, -1.407250750E-09,
|
|
1.288926680E-13, 1.347418250E+04, -1.431732100E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ca2 -->
|
|
<species name="Ca2">
|
|
<atomArray>Ca:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.945901100E+00, 4.306213370E-03, -3.233842270E-05, 4.516408110E-08,
|
|
-1.935010710E-11, 3.961754920E+04, 2.545113150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.167001990E+00, -6.168144440E-04, 2.035409600E-07, -2.771281800E-11,
|
|
1.650030460E-15, 4.043823800E+04, 1.371135090E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CL -->
|
|
<species name="CL">
|
|
<atomArray>Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.260624800E+00, 1.541543990E-03, -6.802836220E-07, -1.599729750E-09,
|
|
1.154166360E-12, 1.385529860E+04, 6.570207990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.946583580E+00, -3.859854080E-04, 1.361393880E-07, -2.170329230E-11,
|
|
1.287510250E-15, 1.369703270E+04, 3.113301360E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CL+ -->
|
|
<species name="CL+">
|
|
<atomArray>E:-1 Cl:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.714353960E+00, 6.624892480E-03, -1.355230860E-05, 1.149997600E-08,
|
|
-3.587605660E-12, 1.651238090E+05, 8.917395520E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.122860720E+00, -6.366240370E-04, 2.483379200E-07, -3.725078490E-11,
|
|
1.984336860E-15, 1.649122340E+05, 2.497313490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CL- -->
|
|
<species name="CL-">
|
|
<atomArray>E:1 Cl:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -2.888341320E+04, 4.200629270E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -2.888341320E+04, 4.200629270E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CLCN -->
|
|
<species name="CLCN">
|
|
<atomArray>C:1 N:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.339085400E+00, 1.039746800E-02, -1.370465000E-05, 9.506196200E-09,
|
|
-2.592526000E-12, 1.523753900E+04, 6.831032550E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.492002100E+00, 2.098724800E-03, -7.741591400E-07, 1.382388200E-10,
|
|
-9.233486400E-15, 1.474916100E+04, -3.730462450E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CLF -->
|
|
<species name="CLF">
|
|
<atomArray>F:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.644556900E+00, 6.248125600E-03, -9.035435100E-06, 6.340057500E-09,
|
|
-1.743537200E-12, -7.046910600E+03, 9.630428000E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.848623300E+00, 3.173327900E-03, -2.052338700E-06, 5.216273300E-10,
|
|
-3.747226200E-14, -6.927882400E+03, 9.316996600E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CLF3 -->
|
|
<species name="CLF3">
|
|
<atomArray>F:3 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.894911900E+00, 2.471855000E-02, -3.513932300E-05, 2.255959100E-08,
|
|
-5.326197800E-12, -2.079864000E+04, 1.138169210E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.953596700E+00, 1.172216300E-03, -5.089618800E-07, 9.756348900E-11,
|
|
-6.885873100E-15, -2.207596800E+04, -1.808155490E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CLO -->
|
|
<species name="CLO">
|
|
<atomArray>O:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.817936400E+00, 4.453133300E-03, -4.412489300E-06, 1.592094200E-09,
|
|
-1.448624200E-14, 1.117139700E+04, 1.005798230E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.091261900E+00, 5.000312600E-04, -1.877820600E-07, 3.509767100E-11,
|
|
-2.420503800E-15, 1.085322300E+04, 3.618892440E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CLO2 -->
|
|
<species name="CLO2">
|
|
<atomArray>O:2 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.293386140E+00, 6.193113370E-03, 1.056853720E-06, -8.161912540E-09,
|
|
4.346946000E-12, 1.137607760E+04, 1.030170240E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.766476810E+00, 1.411325060E-03, -5.437140310E-07, 1.007342950E-10,
|
|
-6.435437620E-15, 1.063241820E+04, -2.865600820E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CL2 -->
|
|
<species name="CL2">
|
|
<atomArray>Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.736381140E+00, 7.835257000E-03, -1.451049630E-05, 1.257308340E-08,
|
|
-4.132471450E-12, -1.058801140E+03, 9.445558790E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.747275080E+00, -4.885817100E-04, 2.684448710E-07, -2.434760830E-11,
|
|
-1.036831480E-15, -1.511018620E+03, -3.445513050E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CL2O -->
|
|
<species name="CL2O">
|
|
<atomArray>O:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.254523800E+00, 1.279944900E-02, -1.788246000E-05, 1.126438300E-08,
|
|
-2.596425200E-12, 9.165742300E+03, 1.057121060E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.434006200E+00, 6.272880900E-04, -2.693325200E-07, 5.107639400E-11,
|
|
-3.569154500E-15, 8.486053000E+03, -4.936724070E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cr -->
|
|
<species name="Cr">
|
|
<atomArray>Cr:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.502593710E+00, -2.765601700E-05, 1.039740950E-07, -1.619964060E-10,
|
|
8.893919850E-14, 4.706002370E+04, 6.711072100E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.084977520E+00, -1.447036830E-03, 1.084921940E-06, -2.356436350E-10,
|
|
1.863558160E-14, 4.689282020E+04, 3.659139140E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CrN -->
|
|
<species name="CrN">
|
|
<atomArray>Cr:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.930463600E+00, 3.037704200E-03, -1.271396400E-06, -1.178124900E-09,
|
|
8.555134900E-13, 5.974420300E+04, 1.019188120E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.864960200E+00, 8.516045600E-04, -4.407075800E-07, 1.066760100E-10,
|
|
-8.373142200E-15, 5.947743700E+04, 5.295067570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CrO -->
|
|
<species name="CrO">
|
|
<atomArray>Cr:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.841499600E+00, 4.095335800E-03, -3.577646300E-06, 8.171043900E-10,
|
|
2.407200900E-13, 2.164606700E+04, 1.151799220E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.013981800E+00, 6.270024500E-04, -2.795679400E-07, 6.000310000E-11,
|
|
-4.405791600E-15, 2.134669300E+04, 5.551715100E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CrO2 -->
|
|
<species name="CrO2">
|
|
<atomArray>Cr:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.301264500E+00, 8.162585700E-03, -5.890768000E-06, 1.617085600E-11,
|
|
1.081626700E-12, -1.035356900E+04, 1.139911380E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.849999800E+00, 1.272510100E-03, -5.492054800E-07, 1.049749100E-10,
|
|
-7.399548600E-15, -1.104218300E+04, -1.744976320E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CrO3 -->
|
|
<species name="CrO3">
|
|
<atomArray>Cr:1 O:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.907285800E+00, 2.304960800E-02, -2.650129400E-05, 1.286241300E-08,
|
|
-1.838199100E-12, -3.660868000E+04, 1.534514150E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.162894600E+00, 2.045083900E-03, -8.859413100E-07, 1.697628200E-10,
|
|
-1.198776500E-14, -3.809255700E+04, -1.589589450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs -->
|
|
<species name="Cs">
|
|
<atomArray>Cs:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500045540E+00, -4.668333560E-07, 1.680050610E-09, -2.482180290E-12,
|
|
1.277121900E-15, 8.455404360E+03, 6.875735390E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.820233150E+00, -3.348403270E-04, -9.829157090E-08, 1.275643690E-10,
|
|
-1.461192710E-14, 8.306393540E+03, 5.008940420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs+ -->
|
|
<species name="Cs+">
|
|
<atomArray>Cs:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 5.438739890E+04, 6.182757560E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 5.438739890E+04, 6.182757560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CsCL -->
|
|
<species name="CsCL">
|
|
<atomArray>Cs:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.182303000E+00, 1.375955300E-03, -2.058693300E-06, 1.483647400E-09,
|
|
-3.976454600E-13, -3.017792700E+04, 6.638487880E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.479845500E+00, 1.094916400E-04, -3.998991400E-09, 2.064199500E-13,
|
|
2.218464000E-17, -3.023580900E+04, 5.217317080E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CsF -->
|
|
<species name="CsF">
|
|
<atomArray>Cs:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.744987900E+00, 3.010051600E-03, -4.588381600E-06, 3.217969400E-09,
|
|
-8.378601700E-13, -4.409069600E+04, 7.194873150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.437330900E+00, 1.271500000E-04, -2.054765000E-08, 2.981335700E-12,
|
|
-1.477424500E-16, -4.422799500E+04, 3.873555850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CsO -->
|
|
<species name="CsO">
|
|
<atomArray>Cs:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.985741900E+00, 2.127925100E-03, -3.217025500E-06, 2.276429500E-09,
|
|
-5.972197600E-13, 6.289894000E+03, 7.516022590E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.466028200E+00, 1.156323200E-04, -5.998918700E-09, 1.317669900E-13,
|
|
5.763974500E-17, 6.195030900E+03, 5.214548690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CsOH -->
|
|
<species name="CsOH">
|
|
<atomArray>Cs:1 H:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.548600300E+00, 7.961233300E-03, -1.332649700E-05, 1.031423400E-08,
|
|
-2.897377700E-12, -3.281089000E+04, 2.861879690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.700564900E+00, 1.182038400E-03, -3.193909400E-07, 3.864291700E-11,
|
|
-1.663563600E-15, -3.291920500E+04, -2.118700210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CsOH+ -->
|
|
<species name="CsOH+">
|
|
<atomArray>Cs:1 H:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.848715800E+00, 6.890834600E-03, -1.183932800E-05, 9.433537200E-09,
|
|
-2.722268500E-12, 5.167816700E+04, 3.084848510E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.729256300E+00, 1.157132400E-03, -3.104443100E-07, 3.709629100E-11,
|
|
-1.550946300E-15, 5.162648300E+04, -5.764822180E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2 -->
|
|
<species name="Cs2">
|
|
<atomArray>Cs:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.745882250E+00, -2.638628190E-03, 1.141393050E-05, -1.604305000E-08,
|
|
6.561122940E-12, 1.154448560E+04, 7.606792720E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.866451780E+00, -3.990143260E-03, 1.319480840E-06, -1.634131860E-10,
|
|
6.881259080E-15, 1.080542930E+04, -4.297494650E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2CL2 -->
|
|
<species name="Cs2CL2">
|
|
<atomArray>Cs:2 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.295264200E+00, 2.850560000E-03, -4.557601900E-06, 3.255773100E-09,
|
|
-8.606736200E-13, -8.222286200E+04, -7.518353320E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.942437500E+00, 6.265930300E-05, -2.633109700E-08, 4.891214200E-12,
|
|
-3.355415200E-16, -8.234585500E+04, -1.059806040E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2F2 -->
|
|
<species name="Cs2F2">
|
|
<atomArray>Cs:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.442556100E+00, 6.492100100E-03, -1.083275700E-05, 8.179105400E-09,
|
|
-2.317397800E-12, -1.097816500E+05, -7.248244850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.879372500E+00, 1.267482900E-04, -5.090525300E-08, 8.971176200E-12,
|
|
-5.809096000E-16, -1.100505700E+05, -1.405482170E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2O -->
|
|
<species name="Cs2O">
|
|
<atomArray>Cs:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.755363900E+00, 4.911607300E-03, -7.707251800E-06, 5.415695700E-09,
|
|
-1.408089800E-12, -1.294682900E+04, 4.300154610E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.897946700E+00, 1.016509800E-04, -3.806206200E-08, 6.146639300E-12,
|
|
-3.575821600E-16, -1.316998900E+04, -1.165916890E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2O2H2 -->
|
|
<species name="Cs2O2H2">
|
|
<atomArray>Cs:2 H:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.522819100E+00, 7.907837200E-03, 3.543029900E-06, -1.045632800E-08,
|
|
4.801403200E-12, -8.533841200E+04, -1.906633110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.580936200E+00, 5.326050900E-03, -1.878054500E-06, 3.092592500E-10,
|
|
-1.942953300E-14, -8.602583900E+04, -1.321459430E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cs2SO4 -->
|
|
<species name="Cs2SO4">
|
|
<atomArray>Cs:2 S:1 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.296538500E+00, 4.485430000E-02, -6.098792300E-05, 4.051638800E-08,
|
|
-1.067349500E-11, -1.378255900E+05, 1.340963710E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.541904500E+01, 4.052765000E-03, -1.791034100E-06, 3.502465300E-10,
|
|
-2.521573600E-14, -1.403677500E+05, -4.149218490E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cu -->
|
|
<species name="Cu">
|
|
<atomArray>Cu:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500065970E+00, -6.773064120E-07, 2.441168180E-09, -3.613147580E-12,
|
|
1.863032240E-15, 3.985833580E+04, 5.768846040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.135225950E+00, -1.133375470E-03, 5.720230410E-07, -7.663261770E-11,
|
|
2.838814660E-15, 3.961772400E+04, 2.253319440E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cu+ -->
|
|
<species name="Cu+">
|
|
<atomArray>E:-1 Cu:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.302637880E+05, 1.249412090E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.499817540E+00, 3.579221460E-07, -2.217698480E-10, 4.869379180E-14,
|
|
-2.390196100E-18, 1.302638540E+05, 1.249511860E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CuCL -->
|
|
<species name="CuCL">
|
|
<atomArray>Cu:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.349160000E+00, 5.102830200E-03, -9.127800200E-06, 7.601415500E-09,
|
|
-2.398448900E-12, 9.796756200E+03, 8.269473040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.390298800E+00, 1.834948400E-04, -5.711070300E-08, 1.129332100E-11,
|
|
-8.197552000E-16, 9.609726600E+03, 3.392165140E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CuF -->
|
|
<species name="CuF">
|
|
<atomArray>Cu:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.765450500E+00, 6.851180500E-03, -1.133881900E-05, 8.909657800E-09,
|
|
-2.692769200E-12, -2.554856500E+03, 9.872774110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.122739900E+00, 6.316346300E-04, -3.347282000E-07, 8.083736700E-11,
|
|
-5.783481700E-15, -2.800595300E+03, 3.485645710E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CuF2 -->
|
|
<species name="CuF2">
|
|
<atomArray>Cu:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.110769600E+00, 1.432580700E-02, -2.281174300E-05, 1.727889300E-08,
|
|
-5.072697700E-12, -3.350045300E+04, 1.099956980E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.818423600E+00, -1.649790800E-04, 2.029177400E-07, -2.545311300E-11,
|
|
1.206573200E-16, -3.432274400E+04, -7.128629210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species CuO -->
|
|
<species name="CuO">
|
|
<atomArray>O:1 Cu:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.709352000E+00, 3.196505900E-03, -5.297010900E-06, 4.216423800E-09,
|
|
-1.289185500E-12, 3.562747000E+04, 6.331400790E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.272362500E+00, 4.471327600E-04, -2.395697900E-07, 6.040531600E-11,
|
|
-4.245601600E-15, 3.553534900E+04, 3.727018890E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cu2 -->
|
|
<species name="Cu2">
|
|
<atomArray>Cu:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.924435800E+00, 2.727494900E-03, -4.919495600E-06, 4.182196500E-09,
|
|
-1.339353300E-12, 5.711918700E+04, 6.083808290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.423973400E+00, 2.024895200E-04, -6.448979300E-08, 1.406541200E-11,
|
|
-7.602049400E-16, 5.703813100E+04, 3.785355790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Cu3CL3 -->
|
|
<species name="Cu3CL3">
|
|
<atomArray>Cu:3 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.144290000E+01, 2.069080600E-02, -3.826400300E-05, 3.234105300E-08,
|
|
-1.030988400E-11, -3.515161000E+04, -1.826878650E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.562612700E+01, 4.337383300E-04, -1.946700600E-07, 3.846693800E-11,
|
|
-2.789970000E-15, -3.588185300E+04, -3.775233450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D -->
|
|
<species name="D">
|
|
<atomArray>D:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 2.592125960E+04, 5.917158270E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 2.592125960E+04, 5.917158270E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D+ -->
|
|
<species name="D+">
|
|
<atomArray>E:-1 D:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.845119640E+05, -1.018389040E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.845119640E+05, -1.018389040E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D- -->
|
|
<species name="D-">
|
|
<atomArray>E:1 D:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.642376670E+04, -1.010239120E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.642376670E+04, -1.010239120E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species DCL -->
|
|
<species name="DCL">
|
|
<atomArray>D:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.826921300E+00, -2.501332600E-03, 6.046612400E-06, -4.483751900E-09,
|
|
1.136764100E-12, -1.230192100E+04, 1.891777840E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.957203400E+00, 1.591816000E-03, -6.332027200E-07, 1.175565800E-10,
|
|
-8.159991100E-15, -1.217351500E+04, 5.898796740E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species DF -->
|
|
<species name="DF">
|
|
<atomArray>D:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.498138600E+00, 2.217679300E-04, -1.332024000E-06, 2.561949300E-09,
|
|
-1.151224100E-12, -3.418323200E+04, 1.655078610E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.726462000E+00, 1.509129300E-03, -5.170493800E-07, 8.548537100E-11,
|
|
-5.419602400E-15, -3.393694000E+04, 5.829819810E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species DOCL -->
|
|
<species name="DOCL">
|
|
<atomArray>D:1 O:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.479041800E+00, 1.084589600E-02, -1.522830500E-05, 1.143731400E-08,
|
|
-3.420492500E-12, -1.051809200E+04, 1.212671070E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.435076100E+00, 2.532238700E-03, -1.031233100E-06, 1.900545400E-10,
|
|
-1.268238400E-14, -1.091940200E+04, 2.727159690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D2 -->
|
|
<species name="D2">
|
|
<atomArray>D:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.495469740E+00, 2.583481590E-04, -1.317625020E-06, 2.429120180E-09,
|
|
-1.059824980E-12, -1.046315800E+03, -2.519053850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.730689290E+00, 1.480047810E-03, -4.793148480E-07, 7.894962740E-11,
|
|
-4.883808230E-15, -7.952675040E+02, 1.642662430E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D2+ -->
|
|
<species name="D2+">
|
|
<atomArray>E:-1 D:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.807514000E+00, -3.110626000E-03, 1.016298200E-05, -9.836327100E-09,
|
|
3.265985300E-12, 1.791709600E+05, -2.286628250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.589180000E+00, 8.921465100E-04, -2.426448400E-07, 5.758440900E-11,
|
|
-6.738056000E-15, 1.790375200E+05, -2.058178850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D2- -->
|
|
<species name="D2-">
|
|
<atomArray>E:1 D:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.214480000E+00, 7.835816500E-04, 3.589268500E-06, -5.239419000E-09,
|
|
2.087136500E-12, 2.729300900E+04, 3.681558370E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.753104200E+00, 9.801899100E-04, -3.638796000E-07, 7.070048200E-11,
|
|
-5.067427200E-15, 2.706470800E+04, -2.819551720E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D2O -->
|
|
<species name="D2O">
|
|
<atomArray>D:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.854113100E+00, 1.471228800E-04, 3.006900600E-06, -1.774762800E-09,
|
|
2.301886200E-13, -3.115165100E+04, 1.733419840E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.726459500E+00, 3.984517300E-03, -1.493262600E-06, 2.634977200E-10,
|
|
-1.764955700E-14, -3.090263800E+04, 7.318201340E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species D2S -->
|
|
<species name="D2S">
|
|
<atomArray>S:1 D:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.807082400E+00, 3.759631100E-04, 5.753079900E-06, -5.348574000E-09,
|
|
1.405408300E-12, -4.066121900E+03, 3.879287490E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.666290100E+00, 3.499226400E-03, -1.420728400E-06, 2.668563900E-10,
|
|
-1.868473900E-14, -4.214730800E+03, 3.799699690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species F -->
|
|
<species name="F">
|
|
<atomArray>F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.419514290E+00, 2.941327930E-03, -8.927992460E-06, 9.920609350E-09,
|
|
-3.798600440E-12, 8.757323510E+03, 4.747710420E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.667495410E+00, -1.666935480E-04, 6.424484570E-08, -1.085887580E-11,
|
|
6.708457550E-16, 8.788953500E+03, 4.007291980E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species F+ -->
|
|
<species name="F+">
|
|
<atomArray>E:-1 F:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.084210840E+00, -9.000621390E-04, -1.645991740E-07, 1.101213360E-09,
|
|
-5.562709200E-13, 2.116191010E+05, 2.145976530E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.688348610E+00, -1.761829610E-04, 6.069406390E-08, -8.915300670E-12,
|
|
5.475521670E-16, 2.117440950E+05, 4.274808380E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species F- -->
|
|
<species name="F-">
|
|
<atomArray>E:1 F:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -3.142415220E+04, 3.264882850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -3.142415220E+04, 3.264882850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FCN -->
|
|
<species name="FCN">
|
|
<atomArray>C:1 N:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.251694100E+00, 8.307314400E-03, -8.366635800E-06, 4.412564400E-09,
|
|
-9.088242300E-13, 3.055119800E+03, 6.442147740E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.089855700E+00, 2.417068400E-03, -9.768276600E-07, 1.781344200E-10,
|
|
-1.211856700E-14, 2.578078100E+03, -2.872780960E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FO -->
|
|
<species name="FO">
|
|
<atomArray>O:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.968002400E+00, 2.648339300E-03, -3.736800500E-07, -1.900622500E-09,
|
|
1.061428300E-12, 1.208784400E+04, 8.393497470E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.919277400E+00, 7.044234500E-04, -2.664820400E-07, 4.961759900E-11,
|
|
-3.368857100E-15, 1.179819300E+04, 3.328758370E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FO2 -->
|
|
<species name="FO2">
|
|
<atomArray>O:2 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.780507300E+00, 6.817459500E-03, -5.813360500E-06, 1.756250400E-09,
|
|
6.775743000E-14, 1.276946800E+02, 7.835682970E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.704093500E+00, 1.386288900E-03, -5.835537400E-07, 1.093721400E-10,
|
|
-7.586918100E-15, -3.967867800E+02, -2.067917330E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species F2 -->
|
|
<species name="F2">
|
|
<atomArray>F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.208324150E+00, 1.259191790E-03, 3.897479790E-06, -7.221849840E-09,
|
|
3.318378620E-12, -1.034257940E+03, 5.619035890E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.861662190E+00, 7.883676790E-04, -1.819829400E-07, -9.174365600E-12,
|
|
2.651934720E-15, -1.232386550E+03, 2.041198550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species F2O -->
|
|
<species name="F2O">
|
|
<atomArray>O:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.610921900E+00, 1.223128000E-02, -1.344141500E-05, 5.890941200E-09,
|
|
-5.748717500E-13, 1.734719600E+03, 1.178788180E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.005187100E+00, 1.102840200E-03, -4.754793700E-07, 9.068314500E-11,
|
|
-6.375709800E-15, 9.190606500E+02, -5.222105810E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FS2F,fluorodisu -->
|
|
<species name="FS2F,fluorodisu">
|
|
<atomArray>S:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.226646820E+00, 3.281252040E-02, -5.927970210E-05, 5.023312800E-08,
|
|
-1.625990190E-11, -4.215380190E+04, 1.512394280E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.114914040E+00, 9.255497880E-04, -3.669728590E-07, 6.314898990E-11,
|
|
-3.948777640E-15, -4.344485610E+04, -1.736857740E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe -->
|
|
<species name="Fe">
|
|
<atomArray>Fe:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.707444280E+00, 1.063392240E-02, -2.761181710E-05, 2.809178540E-08,
|
|
-1.012198240E-11, 4.918437250E+04, 9.808110990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.261979700E+00, -1.055825330E-03, 5.929069980E-07, -1.071894550E-10,
|
|
7.480644020E-15, 4.909698730E+04, 3.524438940E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe+ -->
|
|
<species name="Fe+">
|
|
<atomArray>E:-1 Fe:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.764181060E+00, 2.869482380E-03, -7.612356510E-06, 8.181833340E-09,
|
|
-3.117921990E-12, 1.411590390E+05, 5.539979810E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.336023990E+00, -2.725492620E-04, 8.054403440E-09, 1.512290890E-11,
|
|
-1.433765950E-15, 1.410364550E+05, 2.864769680E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe- -->
|
|
<species name="Fe-">
|
|
<atomArray>E:1 Fe:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.521745100E+00, 9.796731930E-03, -2.110786700E-05, 1.848209030E-08,
|
|
-5.895371340E-12, 4.657102150E+04, 1.086833850E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.363105860E+00, -8.293750420E-04, 3.124262410E-07, -5.200683550E-11,
|
|
3.178752410E-15, 4.635643070E+04, 2.768024210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FeC5O5 -->
|
|
<species name="FeC5O5">
|
|
<atomArray>C:5 Fe:1 O:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.606546000E+00, 7.504212900E-02, -1.220127500E-04, 1.005537800E-07,
|
|
-3.226097300E-11, -9.195143800E+04, -2.576006210E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.116402100E+01, 1.033310300E-02, -4.331093600E-06, 8.204749700E-10,
|
|
-5.777387400E-14, -9.488893400E+04, -7.207365200E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FeCL -->
|
|
<species name="FeCL">
|
|
<atomArray>Fe:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.788582600E+00, 4.367801100E-03, -6.692232800E-06, 4.170745400E-09,
|
|
-8.468677300E-13, 2.892009700E+04, 8.353367560E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.694066900E+00, 1.160407800E-04, -2.084017500E-08, -1.762655600E-12,
|
|
5.231381400E-16, 2.879034400E+04, 4.193555060E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FeCL2 -->
|
|
<species name="FeCL2">
|
|
<atomArray>Fe:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.455750500E+00, 7.963292700E-03, -1.259396400E-05, 8.997673400E-09,
|
|
-2.324236300E-12, -1.884429700E+04, 3.022842190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.949260100E+00, 5.337164100E-04, 7.022120700E-08, -6.147549000E-11,
|
|
6.793314300E-15, -1.904583200E+04, -3.759514410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FeCL3 -->
|
|
<species name="FeCL3">
|
|
<atomArray>Fe:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.561487300E+00, 9.733824900E-03, -1.554330500E-05, 1.118636800E-08,
|
|
-3.002299800E-12, -3.301362400E+04, -3.985832030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.777110600E+00, 2.442136200E-04, -1.031399400E-07, 1.920742600E-11,
|
|
-1.317929900E-15, -3.343957000E+04, -1.454914630E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species FeO -->
|
|
<species name="FeO">
|
|
<atomArray>Fe:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.824525600E+00, 4.304920700E-03, -4.108478100E-06, 1.320118900E-09,
|
|
7.131621700E-14, 2.919403500E+04, 1.189117600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.204981700E+00, 2.683845200E-04, -8.942673600E-08, 3.185591100E-11,
|
|
-3.392254300E-15, 2.882917000E+04, 4.830431590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe(OH)2 -->
|
|
<species name="Fe(OH)2">
|
|
<atomArray>H:2 Fe:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-1.676677340E+00, 6.169314640E-02, -1.207389950E-04, 1.098140260E-07,
|
|
-3.728568310E-11, -4.112897080E+04, 2.967717100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.962620120E+00, 4.201373420E-03, -1.610174430E-06, 2.683470760E-10,
|
|
-1.634973050E-14, -4.279943580E+04, -1.869123670E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe2CL4 -->
|
|
<species name="Fe2CL4">
|
|
<atomArray>Fe:2 Cl:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.273824200E+01, 1.323555800E-02, -2.164187300E-05, 1.599366700E-08,
|
|
-4.350709700E-12, -5.610657900E+04, -1.982474910E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.535750000E+01, 6.420786100E-04, 2.081773000E-08, -5.158055900E-11,
|
|
6.067349500E-15, -5.651003700E+04, -3.189658710E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Fe2CL6 -->
|
|
<species name="Fe2CL6">
|
|
<atomArray>Fe:2 Cl:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.422118080E+01, 4.354859680E-02, -9.603901880E-05, 9.374630810E-08,
|
|
-3.360516260E-11, -8.419962650E+04, -2.592446940E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.156450310E+01, 4.623490150E-04, -1.849520780E-07, 3.201430430E-11,
|
|
-2.010027370E-15, -8.524323750E+04, -5.865381850E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H -->
|
|
<species name="H">
|
|
<atomArray>H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 2.547365990E+04, -4.466828530E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500002860E+00, -5.653342140E-09, 3.632517230E-12, -9.199497200E-16,
|
|
7.952607460E-20, 2.547365890E+04, -4.466984940E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H+ -->
|
|
<species name="H+">
|
|
<atomArray>H:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.840214280E+05, -1.140644530E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.840214280E+05, -1.140644530E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H- -->
|
|
<species name="H-">
|
|
<atomArray>H:1 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.597616700E+04, -1.139015980E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.597616700E+04, -1.139015980E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HALO -->
|
|
<species name="HALO">
|
|
<atomArray>H:1 Al:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.292211590E+00, -2.682003990E-03, 2.868412920E-05, -3.797088660E-08,
|
|
1.540203500E-11, 2.977710500E+03, 6.961609700E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.090753390E+00, 2.425141170E-03, -9.399329460E-07, 1.593910040E-10,
|
|
-9.867473170E-15, 2.050094590E+03, -4.614507910E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBO -->
|
|
<species name="HBO">
|
|
<atomArray>H:1 B:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.214310600E+00, 9.371851300E-03, -1.071107400E-05, 7.676977400E-09,
|
|
-2.358637100E-12, -2.484924600E+04, 9.372016770E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.748518100E+00, 3.661085900E-03, -1.463540900E-06, 2.651990300E-10,
|
|
-1.783427500E-14, -2.522579800E+04, 1.746477570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBO+ -->
|
|
<species name="HBO+">
|
|
<atomArray>H:1 B:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.254428300E+00, 8.030187200E-03, -5.974907200E-06, 2.428195000E-09,
|
|
-4.305112400E-13, 1.418506900E+05, 1.081220760E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.947508000E+00, 3.431543600E-03, -1.278708400E-06, 2.218060400E-10,
|
|
-1.475719200E-14, 1.413599800E+05, 1.998895970E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBO- -->
|
|
<species name="HBO-">
|
|
<atomArray>H:1 B:1 E:1 O:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.970795500E+00, -2.210010700E-03, 1.453541300E-05, -1.563892500E-08,
|
|
5.397896600E-12, -3.058949900E+04, 4.824969670E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.086926500E+00, 2.978475600E-03, -1.238710700E-06, 2.469333500E-10,
|
|
-1.845504800E-14, -3.093002600E+04, 2.780142470E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBO2 -->
|
|
<species name="HBO2">
|
|
<atomArray>H:1 B:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.870786600E+00, 7.886264400E-03, -4.073684200E-07, -4.705902200E-09,
|
|
2.354889300E-12, -6.862411100E+04, 1.018051860E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.738951900E+00, 4.771877100E-03, -1.806349400E-06, 3.149288900E-10,
|
|
-2.073831200E-14, -6.924883800E+04, 9.863917670E-03</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBS -->
|
|
<species name="HBS">
|
|
<atomArray>H:1 S:1 B:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.559590300E+00, 1.396683800E-02, -1.798859500E-05, 1.231514100E-08,
|
|
-3.409095700E-12, 5.089093600E+03, 1.350189860E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.441226500E+00, 2.997982500E-03, -1.193823000E-06, 2.119583200E-10,
|
|
-1.346609700E-14, 4.440297500E+03, -6.467831740E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
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|
|
|
<!-- species HBS+ -->
|
|
<species name="HBS+">
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|
<atomArray>H:1 S:1 B:1 E:-1 </atomArray>
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|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.251156100E+00, 1.207716800E-02, -1.532215600E-05, 1.049409000E-08,
|
|
-2.932529200E-12, 1.347547600E+05, 1.127076990E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.709754200E+00, 2.818703600E-03, -1.163308800E-06, 2.176883900E-10,
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|
-1.510868600E-14, 1.341913900E+05, -8.374721460E-01</floatArray>
|
|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HBr -->
|
|
<species name="HBr">
|
|
<atomArray>H:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.605669000E+00, -5.952943100E-04, 6.502956800E-07, 9.378121900E-10,
|
|
-7.114185200E-13, -5.438945500E+03, 3.496341130E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.793580400E+00, 1.565592500E-03, -5.617106400E-07, 9.578314200E-11,
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|
-6.181399000E-15, -5.233838400E+03, 7.655534030E+00</floatArray>
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|
</NASA>
|
|
</thermo>
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|
</species>
|
|
|
|
<!-- species HCN -->
|
|
<species name="HCN">
|
|
<atomArray>H:1 C:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.259011230E+00, 1.005105910E-02, -1.335149110E-05, 1.009208820E-08,
|
|
-3.008820480E-12, 1.521584950E+04, 8.916345900E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.802317330E+00, 3.146300090E-03, -1.063156980E-06, 1.661853950E-10,
|
|
-9.798917890E-15, 1.491048290E+04, 1.575035840E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCO -->
|
|
<species name="HCO">
|
|
<atomArray>H:1 C:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.221185840E+00, -3.243925320E-03, 1.377994460E-05, -1.331440930E-08,
|
|
4.337688650E-12, 3.839564960E+03, 3.394372430E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.648962090E+00, 3.080908190E-03, -1.124298760E-06, 1.863080850E-10,
|
|
-1.139518280E-14, 3.712090480E+03, 5.061474060E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCO+ -->
|
|
<species name="HCO+">
|
|
<atomArray>H:1 C:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.473973600E+00, 8.671559000E-03, -1.003150000E-05, 6.717052700E-09,
|
|
-1.787267400E-12, 9.914660800E+04, 8.175711870E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.741188000E+00, 3.344151700E-03, -1.239712100E-06, 2.118938800E-10,
|
|
-1.370415000E-14, 9.888407800E+04, 2.078613570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCCN -->
|
|
<species name="HCCN">
|
|
<atomArray>H:1 C:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.871843070E+00, 2.606113140E-02, -4.627239650E-05, 4.186097310E-08,
|
|
-1.453527050E-11, 7.203403600E+04, 1.221732280E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.563141690E+00, 3.480409670E-03, -1.246030800E-06, 2.007644860E-10,
|
|
-1.200445470E-14, 7.113470860E+04, -9.865561410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCL -->
|
|
<species name="HCL">
|
|
<atomArray>H:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.524817100E+00, 2.998486200E-05, -8.622189100E-07, 2.097972100E-09,
|
|
-9.865819100E-13, -1.215050900E+04, 2.408923590E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.766588400E+00, 1.438188300E-03, -4.699300000E-07, 7.349940800E-11,
|
|
-4.373110600E-15, -1.191746800E+04, 6.471506290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HD -->
|
|
<species name="HD">
|
|
<atomArray>H:1 D:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.432547700E+00, 6.510702800E-04, -1.933266600E-06, 2.410173600E-09,
|
|
-8.673239700E-13, -1.000927200E+03, -2.389022470E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.846454400E+00, 1.063196100E-03, -2.443380500E-07, 2.905083400E-11,
|
|
-1.162153100E-15, -7.618246500E+02, 9.801439970E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HD+ -->
|
|
<species name="HD+">
|
|
<atomArray>H:1 E:-1 D:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.882713600E+00, -3.077938100E-03, 8.191447300E-06, -6.811949900E-09,
|
|
1.985989800E-12, 1.789456300E+05, -2.803359780E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.290976400E+00, 1.155152900E-03, -3.444946300E-07, 7.672268200E-11,
|
|
-8.094813300E-15, 1.789427900E+05, -4.786072120E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HD- -->
|
|
<species name="HD-">
|
|
<atomArray>H:1 E:1 D:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.642887700E+00, -2.129128900E-03, 8.928412300E-06, -9.348120400E-09,
|
|
3.256497100E-12, 2.726927100E+04, -2.255626610E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.493994900E+00, 1.244866700E-03, -4.728871400E-07, 9.105963700E-11,
|
|
-6.486292600E-15, 2.715773400E+04, -2.231104610E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HDO -->
|
|
<species name="HDO">
|
|
<atomArray>H:1 D:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.075442200E+00, -1.382028500E-03, 5.702553400E-06, -4.416364600E-09,
|
|
1.226306200E-12, -3.070760800E+04, 9.710681270E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.667268800E+00, 3.557520900E-03, -1.202600300E-06, 1.960720900E-10,
|
|
-1.235262000E-14, -3.037286900E+04, 7.983599260E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HF -->
|
|
<species name="HF">
|
|
<atomArray>H:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.437998600E+00, 5.357159800E-04, -1.522965500E-06, 1.756449100E-09,
|
|
-5.786994000E-13, -3.381897200E+04, 1.206181770E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.991911000E+00, 7.148947500E-04, -6.863097300E-08, -1.161713000E-11,
|
|
1.941237500E-15, -3.362136400E+04, 3.825495270E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HI -->
|
|
<species name="HI">
|
|
<atomArray>I:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.696372200E+00, -1.422475500E-03, 3.013118800E-06, -1.266640300E-09,
|
|
-3.509876500E-14, 2.107358100E+03, 4.088121110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.910400800E+00, 1.568818800E-03, -5.922763200E-07, 1.053709400E-10,
|
|
-7.037511600E-15, 2.250865900E+03, 7.864470510E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HNC -->
|
|
<species name="HNC">
|
|
<atomArray>H:1 C:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.301867350E+00, 1.541575290E-02, -3.132621560E-05, 3.088165510E-08,
|
|
-1.119123530E-11, 2.222771830E+04, 8.147511350E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.222481030E+00, 2.594582780E-03, -8.584809690E-07, 1.307450020E-10,
|
|
-7.503397650E-15, 2.201275930E+04, -7.794473580E-02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HNCO -->
|
|
<species name="HNCO">
|
|
<atomArray>H:1 C:1 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.243224540E+00, 1.449863800E-02, -1.526090540E-05, 8.363644530E-09,
|
|
-1.721919670E-12, -1.342575120E+04, 1.215654690E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.294046640E+00, 4.030396500E-03, -1.412903480E-06, 2.244282340E-10,
|
|
-1.328593800E-14, -1.416537590E+04, -3.087631300E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HNO -->
|
|
<species name="HNO">
|
|
<atomArray>H:1 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.535258820E+00, -5.685469100E-03, 1.851999760E-05, -1.718836740E-08,
|
|
5.558330900E-12, 1.103988050E+04, 1.743147340E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.165547620E+00, 3.000051320E-03, -3.943502820E-07, -3.857874910E-11,
|
|
7.080919310E-15, 1.119441690E+04, 7.647646950E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HNO2 -->
|
|
<species name="HNO2">
|
|
<atomArray>H:1 O:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.214159250E+00, 8.127779200E-03, 1.659995160E-06, -9.528155630E-09,
|
|
4.871318160E-12, -1.075323600E+04, 9.822000210E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.791826580E+00, 3.651626630E-03, -1.292934510E-06, 2.068929320E-10,
|
|
-1.231548550E-14, -1.156555260E+04, -4.055385250E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HNO3 -->
|
|
<species name="HNO3">
|
|
<atomArray>H:1 O:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.744929460E+00, 1.880408880E-02, -8.159635970E-06, -5.785845320E-09,
|
|
4.437680830E-12, -1.738052960E+04, 1.695455240E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.003792340E+00, 4.498375330E-03, -1.736487580E-06, 2.936855550E-10,
|
|
-1.814786730E-14, -1.925630220E+04, -1.609855460E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HOCL -->
|
|
<species name="HOCL">
|
|
<atomArray>H:1 O:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.932053700E+00, 6.937774400E-03, -6.719184500E-06, 3.156886600E-09,
|
|
-4.696588000E-13, -1.008679900E+04, 9.952565760E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.225010500E+00, 2.318267500E-03, -8.384238000E-07, 1.417639800E-10,
|
|
-8.746999400E-15, -1.036865700E+04, 3.590075560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HOF -->
|
|
<species name="HOF">
|
|
<atomArray>H:1 O:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.231092900E+00, 3.738985700E-03, 6.300976200E-07, -3.621500200E-09,
|
|
1.786713300E-12, -1.295477900E+04, 7.750903620E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.046433600E+00, 2.448628300E-03, -8.628355300E-07, 1.420990400E-10,
|
|
-8.935691500E-15, -1.320906700E+04, 3.349932920E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HO2 -->
|
|
<species name="HO2">
|
|
<atomArray>H:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.301798010E+00, -4.749120510E-03, 2.115828910E-05, -2.427638940E-08,
|
|
9.292251240E-12, 2.948080400E+02, 3.716662450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.172287280E+00, 1.881176470E-03, -3.462774080E-07, 1.946578530E-11,
|
|
1.762542940E-16, 6.181029640E+01, 2.957677460E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HSO3F -->
|
|
<species name="HSO3F">
|
|
<atomArray>H:1 S:1 O:3 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.119244500E+00, 3.154571000E-02, -3.131788800E-05, 1.246150700E-08,
|
|
-8.251463000E-13, -9.236159600E+04, 1.555969560E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.036419000E+01, 5.386116400E-03, -2.123157200E-06, 3.820834300E-10,
|
|
-2.580709000E-14, -9.439833400E+04, -2.600550340E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2 -->
|
|
<species name="H2">
|
|
<atomArray>H:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
|
|
-7.376117610E-12, -9.179351730E+02, 6.830102380E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.932865790E+00, 8.266079670E-04, -1.464023350E-07, 1.541003590E-11,
|
|
-6.888044320E-16, -8.130655970E+02, -1.024328870E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2+ -->
|
|
<species name="H2+">
|
|
<atomArray>H:2 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.772560720E+00, -1.957465890E-03, 4.548120470E-06, -2.821521410E-09,
|
|
5.339692090E-13, 1.786941040E+05, -3.966090860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.442047650E+00, 5.990832390E-04, 6.691336850E-08, -3.435743730E-11,
|
|
1.976265990E-15, 1.786496860E+05, -2.794989490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2- -->
|
|
<species name="H2-">
|
|
<atomArray>H:2 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.838014200E+00, -3.179476800E-03, 1.004301100E-05, -9.551811600E-09,
|
|
3.128133000E-12, 2.723485600E+04, -3.998623600E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.292107600E+00, 1.435862600E-03, -5.470559300E-07, 1.043388300E-10,
|
|
-7.382799800E-15, 2.721618100E+04, -1.982777700E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCHO,formaldehy -->
|
|
<species name="HCHO,formaldehy">
|
|
<atomArray>H:2 C:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.793723150E+00, -9.908333690E-03, 3.732200080E-05, -3.792852610E-08,
|
|
1.317726520E-11, -1.430895670E+04, 6.028129000E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.169526540E+00, 6.193205830E-03, -2.250563770E-06, 3.659756800E-10,
|
|
-2.201494700E-14, -1.447844440E+04, 6.042094490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HCOOH -->
|
|
<species name="HCOOH">
|
|
<atomArray>H:2 C:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.232624530E+00, 2.811295820E-03, 2.440349750E-05, -3.175010660E-08,
|
|
1.206316600E-11, -4.677856060E+04, 9.862056470E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.695794040E+00, 7.722373610E-03, -3.180378080E-06, 5.579494660E-10,
|
|
-3.526182260E-14, -4.815997230E+04, -6.016800800E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2F2 -->
|
|
<species name="H2F2">
|
|
<atomArray>H:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.676331200E+00, 1.229799100E-02, -1.245596500E-05, 6.360252300E-09,
|
|
-1.127082300E-12, -7.012371500E+04, 1.031092980E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.916038900E+00, 3.985765400E-03, -1.355870700E-06, 2.193092100E-10,
|
|
-1.371600500E-14, -7.059477700E+04, -6.296058940E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2O -->
|
|
<species name="H2O">
|
|
<atomArray>H:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.198640560E+00, -2.036434100E-03, 6.520402110E-06, -5.487970620E-09,
|
|
1.771978170E-12, -3.029372670E+04, -8.490322080E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.677037870E+00, 2.973183290E-03, -7.737696900E-07, 9.443366890E-11,
|
|
-4.269009590E-15, -2.988589380E+04, 6.882555710E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2O+ -->
|
|
<species name="H2O+">
|
|
<atomArray>H:2 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.024658530E+00, -1.088509690E-03, 5.135754000E-06, -4.400265920E-09,
|
|
1.407262740E-12, 1.168697570E+05, 6.999713630E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.315704600E+00, 2.106487280E-03, -3.763414490E-07, 3.475259000E-11,
|
|
-1.703356510E-15, 1.169916170E+05, 4.032204410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2O2 -->
|
|
<species name="H2O2">
|
|
<atomArray>H:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.276112690E+00, -5.428224170E-04, 1.673357010E-05, -2.157708130E-08,
|
|
8.624543630E-12, -1.775429890E+04, 3.435050740E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.573335370E+00, 4.049840700E-03, -1.294794790E-06, 1.972817100E-10,
|
|
-1.134028460E-14, -1.805481210E+04, 7.042784880E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2S -->
|
|
<species name="H2S">
|
|
<atomArray>H:2 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.932347600E+00, -5.026090500E-04, 4.592847300E-06, -3.180721400E-09,
|
|
6.649756100E-13, -3.650535900E+03, 2.315790500E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.745219900E+00, 4.043460700E-03, -1.538451000E-06, 2.752024900E-10,
|
|
-1.859209500E-14, -3.419944400E+03, 8.054674500E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H2SO4 -->
|
|
<species name="H2SO4">
|
|
<atomArray>H:2 S:1 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.072568000E+00, 4.376922600E-02, -5.533324300E-05, 3.551825300E-08,
|
|
-9.067735800E-12, -9.025975800E+04, 1.893958200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.088953200E+01, 7.500417800E-03, -2.921047800E-06, 5.259551300E-10,
|
|
-3.578941500E-14, -9.247136400E+04, -2.940478200E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H3B3O6 -->
|
|
<species name="H3B3O6">
|
|
<atomArray>H:3 B:3 O:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-2.270511600E+00, 8.702489400E-02, -9.158771400E-05, 3.944539200E-08,
|
|
-3.666603500E-12, -2.756952300E+05, 3.252965260E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.015357900E+01, 1.301628600E-02, -5.066961900E-06, 9.030825300E-10,
|
|
-6.053241000E-14, -2.810409200E+05, -7.967633240E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H3F3 -->
|
|
<species name="H3F3">
|
|
<atomArray>H:3 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.071786400E+00, 3.727938200E-02, -5.815029200E-05, 4.590619800E-08,
|
|
-1.398749800E-11, -1.075785900E+05, 1.398177900E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.530737300E+00, 6.716593900E-03, -2.545670000E-06, 4.478092900E-10,
|
|
-2.989427500E-14, -1.087179400E+05, -1.621120100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H3O+ -->
|
|
<species name="H3O+">
|
|
<atomArray>H:3 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.792952700E+00, -9.108540000E-04, 1.163635490E-05, -1.213648870E-08,
|
|
4.261596630E-12, 7.075124010E+04, 1.471568560E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.496477160E+00, 5.728449200E-03, -1.839532810E-06, 2.735774390E-10,
|
|
-1.540939850E-14, 7.097291130E+04, 7.458507790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H4F4 -->
|
|
<species name="H4F4">
|
|
<atomArray>H:4 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.382175500E+00, 4.991245100E-02, -7.789997000E-05, 6.150362100E-08,
|
|
-1.873981200E-11, -1.450350700E+05, 1.080547420E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.203738500E+01, 8.959586200E-03, -3.396056900E-06, 5.974365300E-10,
|
|
-3.988469300E-14, -1.465619300E+05, -2.965460380E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H5F5 -->
|
|
<species name="H5F5">
|
|
<atomArray>H:5 F:5 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.684175000E+00, 6.260530800E-02, -9.779898900E-05, 7.725732200E-08,
|
|
-2.355046100E-11, -1.826315900E+05, 7.481674970E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.554413500E+01, 1.120237700E-02, -4.246316300E-06, 7.470318300E-10,
|
|
-4.987236000E-14, -1.845468600E+05, -4.328139020E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species H6F6 -->
|
|
<species name="H6F6">
|
|
<atomArray>H:6 F:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.996331700E+00, 7.522577300E-02, -1.175171600E-04, 9.282176000E-08,
|
|
-2.829045700E-11, -2.216784700E+05, 3.964352970E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.905092400E+01, 1.344509300E-02, -5.096529300E-06, 8.966158100E-10,
|
|
-5.985907200E-14, -2.239811000E+05, -5.705914700E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
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<!-- species H7F7 -->
|
|
<species name="H7F7">
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|
<atomArray>H:7 F:7 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
7.300979100E+00, 8.789976600E-02, -1.373690800E-04, 1.085261800E-07,
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|
-3.308271500E-11, -2.579517700E+05, 3.624760780E-01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.255753600E+01, 1.568815200E-02, -5.946957600E-06, 1.046253200E-09,
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|
-6.985035100E-14, -2.606424800E+05, -7.095210600E+01</floatArray>
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|
</NASA>
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</thermo>
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</species>
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|
<!-- species He -->
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|
<species name="He">
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|
<atomArray>He:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, -7.453750000E+02, 9.287247240E-01</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, -7.453750000E+02, 9.287247240E-01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
|
|
|
|
<!-- species He+ -->
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|
<species name="He+">
|
|
<atomArray>E:-1 He:1 </atomArray>
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|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 2.853150860E+05, 1.621666840E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 2.853150860E+05, 1.621666840E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species Hg -->
|
|
<species name="Hg">
|
|
<atomArray>Hg:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 6.636900080E+03, 6.800201540E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
2.509536110E+00, -1.988272790E-05, 1.389108490E-08, -3.935429200E-12,
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|
3.909592190E-16, 6.633580640E+03, 6.748479660E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species HgBr2 -->
|
|
<species name="HgBr2">
|
|
<atomArray>Hg:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.718892100E+00, 2.578274300E-03, -2.918023700E-06, 9.581844200E-10,
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|
1.387230700E-13, -1.237143400E+04, -4.136708230E-01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
7.422699000E+00, 7.868766300E-05, -2.991030700E-08, 4.849822800E-12,
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|
-2.793093300E-16, -1.252202000E+04, -3.867339710E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species I -->
|
|
<species name="I">
|
|
<atomArray>I:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500416830E+00, -4.480468310E-06, 1.699625360E-08, -2.677080300E-11,
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|
1.489274520E-14, 1.209479900E+04, 7.498165810E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.616677120E+00, -2.660103200E-04, 1.860601500E-07, -3.819274720E-11,
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|
2.520360530E-15, 1.205827900E+04, 6.878966530E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species I2 -->
|
|
<species name="I2">
|
|
<atomArray>I:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.872346340E+00, 3.642654140E-03, -7.953491910E-06, 7.821497730E-09,
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|
-2.806080710E-12, 6.247064240E+03, 8.494102670E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.565881020E+00, -3.422293610E-04, 4.844109770E-07, -1.426321570E-10,
|
|
1.149510990E-14, 6.160854320E+03, 5.419582860E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K -->
|
|
<species name="K">
|
|
<atomArray>K:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500007120E+00, -7.251131660E-08, 2.590684810E-10, -3.794609110E-13,
|
|
1.932106410E-16, 9.958803070E+03, 5.040545170E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.260267210E+00, 5.623411790E-04, -4.485518380E-07, 1.362434980E-10,
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|
-1.029262680E-14, 1.003488120E+04, 6.315682010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K+ -->
|
|
<species name="K+">
|
|
<atomArray>K:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 6.107510510E+04, 4.347404490E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 6.107510510E+04, 4.347404490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KBO2 -->
|
|
<species name="KBO2">
|
|
<atomArray>K:1 B:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.396780100E+00, 1.216920200E-02, -1.180421800E-05, 5.131655100E-09,
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|
-6.593272000E-13, -8.282701200E+04, 7.573243100E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.550250800E+00, 2.566182300E-03, -1.067156600E-06, 1.985188500E-10,
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|
-1.370416800E-14, -8.365383400E+04, -8.492700000E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KCN -->
|
|
<species name="KCN">
|
|
<atomArray>K:1 C:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.081071100E+00, 5.526595600E-03, -9.115712100E-06, 8.448881700E-09,
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|
-3.005154800E-12, 7.866216100E+03, 1.863468680E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.800712000E+00, 1.720078600E-03, -7.079107400E-07, 1.319924700E-10,
|
|
-9.190832300E-15, 7.727262800E+03, -3.158834190E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KCL -->
|
|
<species name="KCL">
|
|
<atomArray>K:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.990856900E+00, 2.108916900E-03, -3.183653000E-06, 2.252530800E-09,
|
|
-5.909417900E-13, -2.708018400E+04, 5.512004450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.463673300E+00, 1.222920700E-04, -9.171921000E-09, 9.264824200E-13,
|
|
-1.040791700E-17, -2.717313300E+04, 3.248089950E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KF -->
|
|
<species name="KF">
|
|
<atomArray>K:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.515606600E+00, 3.786842200E-03, -5.586499500E-06, 3.775143800E-09,
|
|
-9.392421800E-13, -4.047607900E+04, 6.313385450E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.404070000E+00, 1.783372500E-04, -3.609379700E-08, 5.883958700E-12,
|
|
-3.469404600E-16, -4.065588900E+04, 2.031095850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KF2- -->
|
|
<species name="KF2-">
|
|
<atomArray>K:1 E:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.250757300E+00, 8.638371800E-03, -1.340367300E-05, 9.414083200E-09,
|
|
-2.468260200E-12, -8.538397100E+04, -4.772247130E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.258163800E+00, 2.670355700E-04, -1.138463000E-07, 2.140768500E-11,
|
|
-1.482707000E-15, -8.578083900E+04, -1.010327830E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KH -->
|
|
<species name="KH">
|
|
<atomArray>H:1 K:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.815775600E+00, 3.987106000E-03, -3.341054800E-06, 8.860294200E-10,
|
|
1.140284700E-13, 1.380583800E+04, 6.725178990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.960338600E+00, 7.219032300E-04, -2.691871500E-07, 5.261730000E-11,
|
|
-3.787268300E-15, 1.350183700E+04, 8.553450830E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KO -->
|
|
<species name="KO">
|
|
<atomArray>K:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.741077800E+00, 3.124201700E-03, -4.802003900E-06, 3.466060500E-09,
|
|
-9.359979100E-13, 7.336871400E+03, 6.566923890E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.424477800E+00, 1.993615500E-04, -3.712883700E-08, 7.130830000E-12,
|
|
-5.036968700E-16, 7.205233100E+03, 3.307668490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KO- -->
|
|
<species name="KO-">
|
|
<atomArray>K:1 E:1 O:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.708366000E+00, 3.237648000E-03, -4.969050000E-06, 3.572884600E-09,
|
|
-9.608026800E-13, -1.781860700E+04, 5.316625880E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.420108400E+00, 2.012426600E-04, -3.933099600E-08, 7.559851100E-12,
|
|
-5.344227500E-16, -1.795610900E+04, 1.920004080E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KOH -->
|
|
<species name="KOH">
|
|
<atomArray>H:1 K:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.073344100E+00, 9.721794500E-03, -1.598880400E-05, 1.214835300E-08,
|
|
-3.370934200E-12, -2.950655800E+04, 2.935401360E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.640094900E+00, 1.251022600E-03, -3.498454700E-07, 4.456699300E-11,
|
|
-2.087027900E-15, -2.969873200E+04, -4.043654640E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species KOH+ -->
|
|
<species name="KOH+">
|
|
<atomArray>H:1 K:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.432516700E+00, 8.463162500E-03, -1.424785500E-05, 1.110662500E-08,
|
|
-3.156361200E-12, 5.829263200E+04, 2.873345730E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.680614000E+00, 1.212095100E-03, -3.344711700E-07, 4.172793200E-11,
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|
-1.879391300E-15, 5.816760200E+04, -2.554151370E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K2 -->
|
|
<species name="K2">
|
|
<atomArray>K:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.506651270E+00, -4.356762210E-04, 3.266187410E-06, -4.178351020E-09,
|
|
1.196183670E-12, 1.352879530E+04, 4.373189170E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.948663710E+00, -3.604683190E-03, 1.175531930E-06, -1.742203670E-10,
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|
9.703028740E-15, 1.260443490E+04, -9.319390510E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
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|
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|
|
<!-- species K2C2N2 -->
|
|
<species name="K2C2N2">
|
|
<atomArray>K:2 C:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.113305800E+01, 1.151636200E-02, -1.947653300E-05, 1.816985900E-08,
|
|
-6.464725200E-12, -4.698069300E+03, -2.126795910E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.262575400E+01, 3.412399600E-03, -1.403488800E-06, 2.615639600E-10,
|
|
-1.820686500E-14, -4.975361400E+03, -2.815389110E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K2CL2 -->
|
|
<species name="K2CL2">
|
|
<atomArray>K:2 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.706797400E+00, 6.015404700E-03, -1.130393900E-05, 9.662081400E-09,
|
|
-3.105565700E-12, -7.706769600E+04, -8.537547250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.904106900E+00, 1.117970700E-04, -5.039119700E-08, 9.993461400E-12,
|
|
-7.270300900E-16, -7.727233000E+04, -1.409028200E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K2F2 -->
|
|
<species name="K2F2">
|
|
<atomArray>K:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.832950400E+00, 8.924083100E-03, -1.471985200E-05, 1.098246900E-08,
|
|
-3.072172000E-12, -1.063875200E+05, -8.242382810E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.814809600E+00, 2.045308100E-04, -8.707166500E-08, 1.633722700E-11,
|
|
-1.128725600E-15, -1.067598700E+05, -1.764180300E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K2O2H2 -->
|
|
<species name="K2O2H2">
|
|
<atomArray>H:2 K:2 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.919059600E+00, 1.030070300E-02, -2.517329600E-07, -7.745001400E-09,
|
|
4.079604100E-12, -8.126054800E+04, -2.972856440E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.509772200E+00, 5.416706600E-03, -1.922353200E-06, 3.186606600E-10,
|
|
-2.015250800E-14, -8.204835200E+04, -1.681250590E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species K2SO4 -->
|
|
<species name="K2SO4">
|
|
<atomArray>K:2 S:1 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.475852000E+00, 4.877323700E-02, -6.842008000E-05, 4.688631600E-08,
|
|
-1.272108200E-11, -1.342808500E+05, 1.234482860E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.537410800E+01, 4.105613900E-03, -1.814893500E-06, 3.549724300E-10,
|
|
-2.555875400E-14, -1.369532900E+05, -4.614381540E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Kr -->
|
|
<species name="Kr">
|
|
<atomArray>Kr:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 5.490956510E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 5.490956510E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Kr+ -->
|
|
<species name="Kr+">
|
|
<atomArray>Kr:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.481535460E+00, 1.498646760E-04, -4.155765900E-07, 4.402375470E-10,
|
|
-1.193747460E-13, 1.624605920E+05, 6.952579980E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.189687250E+00, 4.637756890E-04, -1.295074820E-07, 1.311586880E-11,
|
|
-3.849779870E-16, 1.625831100E+05, 8.624276880E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li -->
|
|
<species name="Li">
|
|
<atomArray>Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.841390200E+04, 2.447622970E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.504131070E+00, 3.456047040E-05, -6.447900180E-08, 2.757529660E-11,
|
|
-1.787839350E-15, 1.840744740E+04, 2.408020740E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li+ -->
|
|
<species name="Li+">
|
|
<atomArray>E:-1 Li:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 8.172719400E+04, 1.754357540E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 8.172719400E+04, 1.754357540E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiALF4 -->
|
|
<species name="LiALF4">
|
|
<atomArray>F:4 Al:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.540342100E+00, 5.198588100E-02, -8.618803100E-05, 6.749681600E-08,
|
|
-2.036750900E-11, -2.253576700E+05, 1.257193200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.403774200E+01, 2.248264200E-03, -1.001000200E-06, 1.967024900E-10,
|
|
-1.420888600E-14, -2.276275700E+05, -4.236014800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiBO2 -->
|
|
<species name="LiBO2">
|
|
<atomArray>B:1 O:2 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.743547400E+00, 1.447525700E-02, -1.520968800E-05, 7.413654100E-09,
|
|
-1.224219100E-12, -7.943775600E+04, 8.012025640E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.426609600E+00, 2.704375700E-03, -1.128474100E-06, 2.106239800E-10,
|
|
-1.458490900E-14, -8.037028500E+04, -1.060079180E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiCL -->
|
|
<species name="LiCL">
|
|
<atomArray>Cl:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.990690600E+00, 5.033864200E-03, -6.567197900E-06, 3.805016000E-09,
|
|
-7.611745500E-13, -2.460318200E+04, 7.328184480E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.271214300E+00, 3.140029100E-04, -1.012313000E-07, 1.845185300E-11,
|
|
-1.239873100E-15, -2.488444200E+04, 1.041721580E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiF -->
|
|
<species name="LiF">
|
|
<atomArray>F:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.852886900E+00, 3.953278100E-03, -3.172498500E-06, 4.324439700E-10,
|
|
3.705566700E-13, -4.198726500E+04, 6.791028870E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.043024800E+00, 5.704105400E-04, -2.145414400E-07, 4.060901300E-11,
|
|
-2.835792000E-15, -4.229931800E+04, 6.976954670E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiFO -->
|
|
<species name="LiFO">
|
|
<atomArray>F:1 O:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500179000E+00, 1.266171700E-02, -1.415758900E-05, 6.450637400E-09,
|
|
-7.426143100E-13, -1.226553400E+04, 1.214401820E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.992610900E+00, 1.113920000E-03, -4.788849300E-07, 9.106833200E-11,
|
|
-6.384912300E-15, -1.310098900E+04, -5.336603290E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiF2- -->
|
|
<species name="LiF2-">
|
|
<atomArray>F:2 E:1 Li:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.471813600E+00, 1.063671300E-02, -1.177764600E-05, 5.676548700E-09,
|
|
-8.465984000E-13, -8.696311100E+04, 5.140927950E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.344859000E+00, 1.257127200E-03, -5.352283000E-07, 1.011302500E-10,
|
|
-7.058174400E-15, -8.766789000E+04, -9.298402850E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiH -->
|
|
<species name="LiH">
|
|
<atomArray>H:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.420948600E+00, -6.806736600E-04, 5.652738100E-06, -6.218034800E-09,
|
|
2.153175500E-12, 1.588494500E+04, 1.065741940E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.588429700E+00, 1.072769100E-03, -4.019458800E-07, 7.382855700E-11,
|
|
-4.926964400E-15, 1.571762500E+04, -3.750389650E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiN -->
|
|
<species name="LiN">
|
|
<atomArray>N:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.889430000E+00, 5.221253400E-03, -6.596902100E-06, 3.728899700E-09,
|
|
-7.235514300E-13, 3.921632300E+04, 7.288871450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.225807700E+00, 3.966718700E-04, -1.249399300E-07, 2.317475900E-11,
|
|
-1.585191700E-15, 3.891695200E+04, 7.008514810E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiO -->
|
|
<species name="LiO">
|
|
<atomArray>O:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.838900700E+00, 5.153862600E-03, -6.308238200E-06, 3.411438500E-09,
|
|
-6.163134300E-13, 9.088431400E+03, 7.913117890E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.187620500E+00, 4.118657400E-04, -1.452029600E-07, 2.725307000E-11,
|
|
-1.886477500E-15, 8.779525900E+03, 1.231425990E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiO- -->
|
|
<species name="LiO-">
|
|
<atomArray>E:1 O:1 Li:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.851586600E+00, 5.016988000E-03, -5.954747500E-06, 3.039945100E-09,
|
|
-4.787296900E-13, -9.077807600E+03, 6.459470670E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.181021700E+00, 4.178500000E-04, -1.502484500E-07, 2.839773200E-11,
|
|
-1.978918100E-15, -9.384970200E+03, -1.423923370E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiOH -->
|
|
<species name="LiOH">
|
|
<atomArray>H:1 O:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.346230000E+00, 1.178725300E-02, -1.825265700E-05, 1.308561400E-08,
|
|
-3.432874200E-12, -2.956463600E+04, 3.461233300E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.509695700E+00, 1.368546400E-03, -3.944146900E-07, 5.233219500E-11,
|
|
-2.595867600E-15, -2.989923100E+04, -6.507016000E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiOH+ -->
|
|
<species name="LiOH+">
|
|
<atomArray>H:1 E:-1 O:1 Li:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.637973900E+00, 1.089715400E-02, -1.722967000E-05, 1.266792700E-08,
|
|
-3.416525900E-12, 9.216119300E+04, 3.637760920E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.532926900E+00, 1.377793100E-03, -4.065930900E-07, 5.559091000E-11,
|
|
-2.860462400E-15, 9.188857900E+04, -4.993592680E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species LiON -->
|
|
<species name="LiON">
|
|
<atomArray>N:1 O:1 Li:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.670116400E+00, 7.256817700E-03, -5.868114600E-06, 1.162831200E-09,
|
|
4.270412200E-13, 2.027170300E+04, 6.682495110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.812349600E+00, 1.287062600E-03, -5.466771000E-07, 1.031498700E-10,
|
|
-7.193044700E-15, 1.969230200E+04, -4.344705590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2 -->
|
|
<species name="Li2">
|
|
<atomArray>Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.215904900E+00, 7.093897480E-03, -1.507233700E-05, 1.486848820E-08,
|
|
-5.437402560E-12, 2.479887720E+04, 3.804890040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.583939350E+00, -7.876994020E-04, -3.848781200E-07, 2.911330390E-10,
|
|
-3.394384750E-14, 2.403946860E+04, -8.506791270E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2CL2 -->
|
|
<species name="Li2CL2">
|
|
<atomArray>Cl:2 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.280135100E+00, 1.838410000E-02, -2.876944800E-05, 2.031335900E-08,
|
|
-5.343324700E-12, -7.416000300E+04, 2.792794220E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.524561400E+00, 5.245883400E-04, -2.233794900E-07, 4.195111400E-11,
|
|
-2.902130600E-15, -7.499026300E+04, -2.003167160E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2F2 -->
|
|
<species name="Li2F2">
|
|
<atomArray>F:2 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.400750800E+00, 2.706623700E-02, -3.925618000E-05, 2.572259900E-08,
|
|
-6.223722500E-12, -1.150109100E+05, 1.089177880E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.956663600E+00, 1.171926900E-03, -5.099050400E-07, 9.791753400E-11,
|
|
-6.921560200E-15, -1.163722800E+05, -2.088633120E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2O -->
|
|
<species name="Li2O">
|
|
<atomArray>O:1 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.972170800E+00, 9.246092100E-03, -9.359614900E-06, 3.463916000E-09,
|
|
-7.565888000E-14, -2.159698800E+04, 2.552304090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.619874800E+00, 9.687944800E-04, -4.149050600E-07, 7.863733700E-11,
|
|
-5.496929200E-15, -2.225532500E+04, -1.082155900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2O2 -->
|
|
<species name="Li2O2">
|
|
<atomArray>O:2 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.537523200E+00, 1.734422300E-02, -2.719797100E-05, 1.930562900E-08,
|
|
-5.120795700E-12, -3.140204400E+04, -2.768312910E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.527526000E+00, 5.302101300E-04, -2.300586200E-07, 4.403083100E-11,
|
|
-3.101870200E-15, -3.218248400E+04, -2.185911200E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2O2H2 -->
|
|
<species name="Li2O2H2">
|
|
<atomArray>H:2 O:2 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.864663700E+00, 2.523730900E-02, -2.263279100E-05, 7.463271300E-09,
|
|
2.292549800E-13, -8.733881100E+04, 9.543129600E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.993612900E+00, 6.003963300E-03, -2.181018100E-06, 3.688872600E-10,
|
|
-2.373801400E-14, -8.884415000E+04, -2.135864950E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li2SO4 -->
|
|
<species name="Li2SO4">
|
|
<atomArray>S:1 O:4 Li:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.114572500E-01, 5.945117900E-02, -8.636349000E-05, 6.117108700E-08,
|
|
-1.709892300E-11, -1.275084200E+05, 2.038032790E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.492959500E+01, 4.609747400E-03, -2.037955600E-06, 3.986257900E-10,
|
|
-2.870303000E-14, -1.306352800E+05, -4.916649110E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li3CL3 -->
|
|
<species name="Li3CL3">
|
|
<atomArray>Cl:3 Li:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.574595900E+00, 3.974923900E-02, -5.650821300E-05, 3.629414500E-08,
|
|
-8.578470000E-12, -1.235335100E+05, 4.680596580E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.431944000E+01, 1.885400700E-03, -8.197833000E-07, 1.573549400E-10,
|
|
-1.111947200E-14, -1.255885100E+05, -4.271102260E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Li3F3 -->
|
|
<species name="Li3F3">
|
|
<atomArray>F:3 Li:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.641397500E+00, 3.987869600E-02, -5.724899100E-05, 3.719354400E-08,
|
|
-8.923012500E-12, -1.851985200E+05, 2.162359670E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.436442200E+01, 1.828549800E-03, -7.922115900E-07, 1.515452900E-10,
|
|
-1.067567300E-14, -1.872373600E+05, -4.506091300E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mg -->
|
|
<species name="Mg">
|
|
<atomArray>Mg:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.694658760E+04, 3.634330140E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.316644840E+00, 3.658663390E-04, -2.332278030E-07, 5.371175700E-11,
|
|
-2.995130650E-15, 1.701192330E+04, 4.634495160E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mg+ -->
|
|
<species name="Mg+">
|
|
<atomArray>Mg:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.064223350E+05, 4.327443550E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.504165740E+00, -9.193409660E-06, 6.961714780E-09, -2.174949380E-12,
|
|
2.409033460E-16, 1.064209410E+05, 4.305044940E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgBr -->
|
|
<species name="MgBr">
|
|
<atomArray>Mg:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.510728500E+00, 4.452851000E-03, -8.012407500E-06, 6.706690000E-09,
|
|
-2.123271800E-12, -5.436825700E+03, 8.431489990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.409985400E+00, 1.602173600E-04, -4.150122300E-08, 5.937034200E-12,
|
|
-4.823157300E-17, -5.596190900E+03, 4.229603090E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgBr2 -->
|
|
<species name="MgBr2">
|
|
<atomArray>Mg:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.713910200E+00, 7.732161700E-03, -1.386579300E-05, 1.147790000E-08,
|
|
-3.605788400E-12, -3.837948300E+04, 1.868602290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.321510000E+00, 2.064372500E-04, -9.248920800E-08, 1.825583800E-11,
|
|
-1.323117000E-15, -3.867130400E+04, -5.678465910E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgCL -->
|
|
<species name="MgCL">
|
|
<atomArray>Mg:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.380053400E+00, 4.281338900E-03, -6.445733300E-06, 4.447229100E-09,
|
|
-1.142172700E-12, -6.382656000E+03, 7.788988160E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.377583300E+00, 1.883417800E-04, -5.448859200E-08, 9.948103100E-12,
|
|
-6.694961100E-16, -6.583082600E+03, 2.989388660E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgCL+ -->
|
|
<species name="MgCL+">
|
|
<atomArray>Mg:1 E:-1 Cl:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.601223000E+00, 3.479185900E-03, -5.135314300E-06, 3.444633700E-09,
|
|
-8.384820600E-13, 7.731468800E+04, 6.133859330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.351234400E+00, -3.796719000E-03, 2.471294500E-06, -5.082365300E-10,
|
|
3.367262500E-14, 7.648087900E+04, -8.290362270E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgCLF -->
|
|
<species name="MgCLF">
|
|
<atomArray>Mg:1 F:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.157042930E+00, 1.645347900E-02, -3.011268690E-05, 2.579746060E-08,
|
|
-8.424875470E-12, -6.989100400E+04, 1.022554020E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.570822520E+00, 4.488762080E-04, -1.779948190E-07, 3.063182050E-11,
|
|
-1.915545440E-15, -7.052359770E+04, -5.835554140E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgCL2 -->
|
|
<species name="MgCL2">
|
|
<atomArray>Mg:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.409552900E+00, 7.720628100E-03, -1.162009400E-05, 7.941788900E-09,
|
|
-2.025250200E-12, -4.907053700E+04, 6.471580840E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.240191300E+00, 2.885623900E-04, -1.240118700E-07, 2.352710100E-11,
|
|
-1.644320500E-15, -4.944232600E+04, -8.180901460E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgF -->
|
|
<species name="MgF">
|
|
<atomArray>Mg:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.657075200E+00, 6.682613500E-03, -1.033115600E-05, 7.687176600E-09,
|
|
-2.224505700E-12, -2.949489000E+04, 9.855080410E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.192211900E+00, 4.036264400E-04, -1.509763100E-07, 2.816922100E-11,
|
|
-1.827589200E-15, -2.981371000E+04, 2.436962110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgF+ -->
|
|
<species name="MgF+">
|
|
<atomArray>Mg:1 E:-1 F:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.438765400E+00, 2.225265400E-03, -5.462120200E-06, 1.408427600E-08,
|
|
-8.072690600E-12, 6.051566600E+04, 5.778354560E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.368105700E+00, 4.117596600E-03, -2.939479700E-06, 7.271184300E-10,
|
|
-5.984480200E-14, 5.953600000E+04, -1.345777940E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgF2 -->
|
|
<species name="MgF2">
|
|
<atomArray>Mg:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.347905800E+00, 1.311529700E-02, -2.054160700E-05, 1.539578400E-08,
|
|
-4.490904100E-12, -8.883887400E+04, 8.651902110E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.364207300E+00, 7.262782700E-04, -3.228004600E-07, 6.336366600E-11,
|
|
-4.573843700E-15, -8.946442900E+04, -5.915130790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgF2+ -->
|
|
<species name="MgF2+">
|
|
<atomArray>Mg:1 E:-1 F:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.521288400E+00, 1.526955600E-02, -2.518008900E-05, 1.963549900E-08,
|
|
-5.905491900E-12, 6.965838800E+04, 7.390209450E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.891067300E+00, 7.178128300E-04, -3.294117200E-07, 6.588112800E-11,
|
|
-4.587322800E-15, 6.899314500E+04, -8.713013950E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgH -->
|
|
<species name="MgH">
|
|
<atomArray>H:1 Mg:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.510239700E+00, -1.236835200E-03, 6.424699800E-06, -6.605484600E-09,
|
|
2.200362500E-12, 1.929389300E+04, 3.373654160E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.463859100E+00, 1.240405500E-03, -5.027821000E-07, 9.811883400E-11,
|
|
-6.618306800E-15, 1.917631000E+04, 2.997751860E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgI -->
|
|
<species name="MgI">
|
|
<atomArray>I:1 Mg:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.395966060E+00, 6.114948660E-03, -1.315441460E-05, 1.272593110E-08,
|
|
-4.534142970E-12, 1.769336280E+03, 9.695865080E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.412455990E+00, 1.789109140E-04, -5.229866790E-08, 9.687134860E-12,
|
|
-4.671137860E-16, 1.625819070E+03, 5.164510180E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgI2 -->
|
|
<species name="MgI2">
|
|
<atomArray>I:2 Mg:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.108142600E+00, 6.146211800E-03, -1.116652700E-05, 9.326652500E-09,
|
|
-2.948716600E-12, -2.128632300E+04, 1.971266870E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.371116200E+00, 1.494195400E-04, -6.706773800E-08, 1.325755900E-11,
|
|
-9.620050200E-16, -2.151192300E+04, -3.938456630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgN -->
|
|
<species name="MgN">
|
|
<atomArray>Mg:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.889454900E+00, 5.175717500E-03, -6.584901600E-06, 3.721893300E-09,
|
|
-7.230596400E-13, 3.368105800E+04, 9.297589460E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.221441700E+00, 3.648924000E-04, -1.299573000E-07, 2.441894000E-11,
|
|
-1.691775900E-15, 3.338293100E+04, 2.732051960E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgO -->
|
|
<species name="MgO">
|
|
<atomArray>Mg:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.335349700E+00, -1.333913400E-02, 3.566752600E-05, -2.605747100E-08,
|
|
4.984119600E-12, 5.731557300E+03, -2.132776810E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.949442800E+00, -1.264075500E-03, -2.400973000E-07, 1.627327700E-10,
|
|
-1.761190900E-14, 3.494438400E+03, -2.180117300E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgOH -->
|
|
<species name="MgOH">
|
|
<atomArray>H:1 Mg:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.762435700E+00, 1.916700500E-02, -3.321931800E-05, 2.715897800E-08,
|
|
-8.388927500E-12, -2.094918200E+04, 1.273445250E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.267142400E+00, 1.678272000E-03, -5.430917300E-07, 8.256334900E-11,
|
|
-4.713351300E-15, -2.150933600E+04, -3.395165560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgOH+ -->
|
|
<species name="MgOH+">
|
|
<atomArray>H:1 Mg:1 E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.783142100E+00, 1.922852700E-02, -3.350314300E-05, 2.749136400E-08,
|
|
-8.515100700E-12, 6.915058400E+04, 1.193052360E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.282447900E+00, 1.664043700E-03, -5.401665100E-07, 8.346782400E-11,
|
|
-5.003616800E-15, 6.859581600E+04, -4.150388630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgO2H2 -->
|
|
<species name="MgO2H2">
|
|
<atomArray>H:2 Mg:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.549475000E+00, 3.827048000E-02, -6.650932800E-05, 5.453629400E-08,
|
|
-1.689133800E-11, -7.051675400E+04, 1.441703610E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.517838400E+00, 3.379138000E-03, -1.102203300E-06, 1.711117900E-10,
|
|
-1.030228600E-14, -7.162673100E+04, -1.762946490E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MgS -->
|
|
<species name="MgS">
|
|
<atomArray>Mg:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.808921500E+00, -3.249359500E-02, 9.251725700E-05, -9.096520300E-08,
|
|
2.972563100E-11, 1.593229000E+04, -1.104790530E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.035856500E+01, -5.530708500E-03, 2.095119900E-06, -3.522483800E-10,
|
|
2.228273600E-14, 1.332934600E+04, -3.319052230E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mg2 -->
|
|
<species name="Mg2">
|
|
<atomArray>Mg:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.665489170E+00, -1.812079830E-02, 4.057062330E-05, -4.007200910E-08,
|
|
1.450404630E-11, 3.342807530E+04, 5.330957110E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.554993080E+00, 3.137719320E-03, -3.154974010E-06, 1.118151990E-09,
|
|
-1.085390010E-13, 3.410948850E+04, 1.945477040E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mg2F4 -->
|
|
<species name="Mg2F4">
|
|
<atomArray>Mg:2 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.229905300E+00, 4.929084900E-02, -8.644967200E-05, 7.045937100E-08,
|
|
-2.188711000E-11, -2.094929900E+05, 5.003236150E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.467201600E+01, 1.529931800E-03, -6.834711700E-07, 1.346046900E-10,
|
|
-9.738339800E-15, -2.114376600E+05, -4.427824400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species MoO3 -->
|
|
<species name="MoO3">
|
|
<atomArray>Mo:1 O:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.654312100E+00, 1.449099200E-02, -7.668139000E-06, -6.098464000E-09,
|
|
5.182580900E-12, -4.548309400E+04, 8.505218890E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.559907900E+00, 1.513690700E-03, -6.137326000E-07, 1.075889000E-10,
|
|
-6.227755500E-15, -4.676527000E+04, -1.670282500E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mo2O6 -->
|
|
<species name="Mo2O6">
|
|
<atomArray>Mo:2 O:6 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.754672100E+00, 3.262506400E-02, -1.665990600E-05, -1.503960000E-08,
|
|
1.236035800E-11, -1.418333800E+05, -6.450927310E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.392333200E+01, 1.290874900E-02, -7.392938600E-06, 1.745410900E-09,
|
|
-1.441066800E-13, -1.429283100E+05, -3.644861400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mo3O9 -->
|
|
<species name="Mo3O9">
|
|
<atomArray>Mo:3 O:9 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.357742400E+01, 4.538931000E-02, -2.130595400E-05, -2.286776600E-08,
|
|
1.775232700E-11, -2.345968800E+05, -2.857713900E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.226229900E+01, 1.858496700E-02, -1.058935700E-05, 2.492675200E-09,
|
|
-2.054253600E-13, -2.362003800E+05, -7.108818600E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mo4O12 -->
|
|
<species name="Mo4O12">
|
|
<atomArray>Mo:4 O:12 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.872747800E+01, 6.115949900E-02, -2.914191300E-05, -3.065805000E-08,
|
|
2.401182000E-11, -3.237659400E+05, -5.008838400E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.043174700E+01, 2.473264600E-02, -1.411854900E-05, 3.327129200E-09,
|
|
-2.743901600E-13, -3.259036300E+05, -1.072803370E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Mo5O15 -->
|
|
<species name="Mo5O15">
|
|
<atomArray>Mo:5 O:15 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.388705400E+01, 7.614100000E-02, -3.517472900E-05, -3.986486500E-08,
|
|
3.063112300E-11, -4.105210600E+05, -7.160417700E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.862254300E+01, 3.074274200E-02, -1.753604700E-05, 4.130623000E-09,
|
|
-3.405577100E-13, -4.132415600E+05, -1.437367570E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N -->
|
|
<species name="N">
|
|
<atomArray>N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 5.610463780E+04, 4.193909320E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.415942930E+00, 1.748906000E-04, -1.190236670E-07, 3.022623870E-11,
|
|
-2.036097900E-15, 5.613377480E+04, 4.649609860E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N+ -->
|
|
<species name="N+">
|
|
<atomArray>E:-1 N:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.802694450E+00, -1.447589110E-03, 2.771183800E-06, -2.401873520E-09,
|
|
7.808399310E-13, 2.255752440E+05, 3.578778350E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.511129670E+00, 3.464417510E-06, -1.594269380E-08, 7.248656630E-12,
|
|
-6.445014260E-16, 2.256243400E+05, 4.927676610E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N- -->
|
|
<species name="N-">
|
|
<atomArray>E:1 N:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.627234030E+00, -5.934450180E-04, 1.120289160E-06, -9.625856030E-10,
|
|
3.111195570E-13, 5.618808710E+04, 4.401111760E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.508970990E+00, -9.584127510E-06, 3.852100620E-09, -6.689359980E-13,
|
|
4.209911720E-17, 5.620830170E+04, 4.949532020E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NCO -->
|
|
<species name="NCO">
|
|
<atomArray>C:1 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.754523920E+00, 9.230080370E-03, -9.280066290E-06, 5.625213810E-09,
|
|
-1.612001440E-12, 2.018429540E+04, 9.853687730E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.152557170E+00, 2.309455940E-03, -8.836995190E-07, 1.485253460E-10,
|
|
-9.088579050E-15, 1.949637500E+04, -2.564063500E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ND -->
|
|
<species name="ND">
|
|
<atomArray>D:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.720648800E+00, -1.534184800E-03, 3.187742600E-06, -1.509140100E-09,
|
|
9.712611400E-14, 4.407275600E+04, 1.649556720E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.829703400E+00, 1.658417500E-03, -6.328733300E-07, 1.147768500E-10,
|
|
-7.831858400E-15, 4.425595100E+04, 6.006628820E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ND2 -->
|
|
<species name="ND2">
|
|
<atomArray>D:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.026978000E+00, -1.408512800E-03, 7.776581500E-06, -6.496757500E-09,
|
|
1.755417000E-12, 2.109802800E+04, 1.754842950E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.351539100E+00, 3.376316200E-03, -1.321345700E-06, 2.680067900E-10,
|
|
-2.081017400E-14, 2.107774900E+04, 4.373879750E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species ND3 -->
|
|
<species name="ND3">
|
|
<atomArray>D:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.942783900E+00, 5.103529100E-03, 2.739282100E-06, -4.684766200E-09,
|
|
1.627667400E-12, -8.165156300E+03, 6.155220380E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.196156600E+00, 6.731175800E-03, -2.642340000E-06, 4.763086800E-10,
|
|
-3.280482800E-14, -8.396652700E+03, 4.162907180E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NF -->
|
|
<species name="NF">
|
|
<atomArray>F:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.599279990E+00, -2.181907880E-03, 1.141068530E-05, -1.400684940E-08,
|
|
5.533326380E-12, 2.697025250E+04, 5.355736030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.060422920E+00, 3.506548500E-04, -6.957218150E-08, 1.459254540E-11,
|
|
-1.563724010E-15, 2.667119820E+04, 2.087748050E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NF2 -->
|
|
<species name="NF2">
|
|
<atomArray>F:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.182338100E+00, 1.307000800E-02, -1.514788700E-05, 8.233646000E-09,
|
|
-1.685886400E-12, 3.026324700E+03, 1.429673600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.671099800E+00, 1.524906400E-03, -6.643205000E-07, 1.298820900E-10,
|
|
-9.348916200E-15, 2.172891800E+03, -3.217337260E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NF3 -->
|
|
<species name="NF3">
|
|
<atomArray>F:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.474128700E-01, 3.075047900E-02, -4.258608600E-05, 2.884320900E-08,
|
|
-7.703465500E-12, -1.698750400E+04, 2.187349380E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.841996400E+00, 2.692759200E-03, -1.080130600E-06, 2.122125600E-10,
|
|
-1.528812400E-14, -1.866843200E+04, -1.497089220E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH -->
|
|
<species name="NH">
|
|
<atomArray>H:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.492950370E+00, 3.117957220E-04, -1.489066280E-06, 2.481674030E-09,
|
|
-1.035709160E-12, 4.189429400E+04, 1.848349740E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.783726450E+00, 1.329858860E-03, -4.247855650E-07, 7.834944250E-11,
|
|
-5.504512980E-15, 4.213451630E+04, 5.740848570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH+ -->
|
|
<species name="NH+">
|
|
<atomArray>H:1 E:-1 N:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.616111360E+00, -3.134356770E-03, 2.917051300E-06, 2.573848480E-10,
|
|
-7.314313470E-13, 1.990850430E+05, -2.927584600E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.959189800E+00, 1.349917190E-03, -4.614877820E-07, 8.269776660E-11,
|
|
-5.557589130E-15, 1.995245050E+05, 5.599780210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NHF -->
|
|
<species name="NHF">
|
|
<atomArray>H:1 F:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.507904900E+00, 1.468857000E-03, 5.138931900E-06, -7.076429300E-09,
|
|
2.731565200E-12, 1.232662100E+04, 7.162800560E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.705515600E+00, 3.059283800E-03, -1.194818900E-06, 2.153204100E-10,
|
|
-1.447128500E-14, 1.217131700E+04, 5.630128460E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NHF2 -->
|
|
<species name="NHF2">
|
|
<atomArray>H:1 F:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.206748100E+00, 1.187740100E-02, -5.501269300E-06, -2.191121900E-09,
|
|
1.974618100E-12, -1.352214100E+04, 1.455103120E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.287561500E+00, 4.633233000E-03, -1.877374900E-06, 3.469930300E-10,
|
|
-2.403675000E-14, -1.442363300E+04, -1.644628150E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH2 -->
|
|
<species name="NH2">
|
|
<atomArray>H:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.205568570E+00, -2.135613630E-03, 7.268513010E-06, -5.930698760E-09,
|
|
1.806909780E-12, 2.153522310E+04, -1.466627700E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.847689920E+00, 3.142800350E-03, -8.986414580E-07, 1.303182840E-10,
|
|
-7.488129260E-15, 2.182390490E+04, 6.471654330E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH2F -->
|
|
<species name="NH2F">
|
|
<atomArray>H:2 F:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.646342700E+00, -1.122991400E-03, 1.715608600E-05, -1.903336800E-08,
|
|
6.738459500E-12, -1.017500200E+04, 6.557271070E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.031688600E+00, 6.422393700E-03, -2.483275400E-06, 4.437033100E-10,
|
|
-2.998110000E-14, -1.030216700E+04, 8.277199870E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH3 -->
|
|
<species name="NH3">
|
|
<atomArray>H:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.301778080E+00, -4.771273300E-03, 2.193416190E-05, -2.298564890E-08,
|
|
8.289922680E-12, -6.748063940E+03, -6.906443930E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.717096920E+00, 5.568563380E-03, -1.768863960E-06, 2.674172600E-10,
|
|
-1.527314190E-14, -6.584519890E+03, 6.092898370E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH2OH -->
|
|
<species name="NH2OH">
|
|
<atomArray>H:3 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.210160760E+00, 6.196717800E-03, 1.105949130E-05, -1.966682070E-08,
|
|
8.825163110E-12, -7.309128390E+03, 7.932936400E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.881123620E+00, 8.157087190E-03, -2.826157420E-06, 4.379313300E-10,
|
|
-2.527249210E-14, -7.587827270E+03, 3.791569010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH4+ -->
|
|
<species name="NH4+">
|
|
<atomArray>H:4 E:-1 N:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.022092780E+00, -1.170989600E-02, 3.976001120E-05, -3.694198710E-08,
|
|
1.202644830E-11, 7.630297540E+04, -4.205222860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.315703110E+00, 9.649266530E-03, -3.290495950E-06, 5.120453960E-10,
|
|
-2.984990600E-14, 7.672770440E+04, 1.209309810E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO -->
|
|
<species name="NO">
|
|
<atomArray>O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.218598960E+00, -4.639881240E-03, 1.104430490E-05, -9.340555070E-09,
|
|
2.805548740E-12, 9.845099640E+03, 2.280610010E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.260712340E+00, 1.191011350E-03, -4.291226460E-07, 6.944814630E-11,
|
|
-4.032956810E-15, 9.921431320E+03, 6.369005180E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO+ -->
|
|
<species name="NO+">
|
|
<atomArray>E:-1 O:1 N:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.693012310E+00, -1.342291580E-03, 2.673433950E-06, -1.026093080E-09,
|
|
-6.956104920E-14, 1.181030550E+05, 3.091266980E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.945877020E+00, 1.403252600E-03, -4.955031960E-07, 7.959489730E-11,
|
|
-4.720766680E-15, 1.182443400E+05, 6.706446410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NOCL -->
|
|
<species name="NOCL">
|
|
<atomArray>Cl:1 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.842936300E+00, 7.307572000E-03, -9.140072600E-06, 6.661175800E-09,
|
|
-2.050290500E-12, 4.936487200E+03, 7.740794030E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.869567600E+00, 9.321847600E-04, -2.523554200E-07, 8.094449300E-11,
|
|
-9.020372700E-15, 4.371781000E+03, -2.644057570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NOF -->
|
|
<species name="NOF">
|
|
<atomArray>F:1 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.016789000E+00, 9.407459000E-03, -1.141036800E-05, 7.751570000E-09,
|
|
-2.223288800E-12, -9.048759300E+03, 1.030434230E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.987816200E+00, 2.438225000E-03, -1.110404500E-06, 2.454136700E-10,
|
|
-1.888881300E-14, -9.532831500E+03, 4.591733490E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NOF3 -->
|
|
<species name="NOF3">
|
|
<atomArray>F:3 O:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.578588300E-01, 4.188482500E-02, -6.273100500E-05, 4.619048300E-08,
|
|
-1.341202600E-11, -2.393042300E+04, 2.242342370E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.816029800E+00, 3.546221500E-03, -1.552126900E-06, 3.016350300E-10,
|
|
-2.162290900E-14, -2.601812000E+04, -2.459501130E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO2 -->
|
|
<species name="NO2">
|
|
<atomArray>O:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.944039070E+00, -1.585474440E-03, 1.665789840E-05, -2.047544780E-08,
|
|
7.835032650E-12, 2.896598650E+03, 6.311962250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.884744290E+00, 2.172416390E-03, -8.280790200E-07, 1.574772930E-10,
|
|
-1.051105490E-14, 2.316484620E+03, -1.173570750E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO2- -->
|
|
<species name="NO2-">
|
|
<atomArray>E:1 O:2 N:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.097836480E+00, 3.704863120E-03, 5.929389750E-06, -1.094973070E-08,
|
|
4.627217210E-12, -2.517983390E+04, 9.482371430E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.053292800E+00, 2.075556720E-03, -8.700030770E-07, 1.610742500E-10,
|
|
-1.034480620E-14, -2.590436160E+04, -1.540650630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO2CL -->
|
|
<species name="NO2CL">
|
|
<atomArray>Cl:1 O:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.559803900E+00, 1.796931900E-02, -2.026525500E-05, 1.169918300E-08,
|
|
-2.786337200E-12, 9.879068000E+01, 1.358995820E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.120260100E+00, 3.186955700E-03, -1.377989700E-06, 2.665316300E-10,
|
|
-1.904379600E-14, -1.061534700E+03, -9.454765600E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO2F -->
|
|
<species name="NO2F">
|
|
<atomArray>F:1 O:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.446680800E+00, 2.088405800E-02, -2.388552800E-05, 1.394389400E-08,
|
|
-3.340250100E-12, -1.428429700E+04, 1.766067000E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.710382000E+00, 3.624016600E-03, -1.566602300E-06, 3.026664100E-10,
|
|
-2.160886600E-14, -1.561104100E+04, -8.881696010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO3 -->
|
|
<species name="NO3">
|
|
<atomArray>O:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.173593100E+00, 1.049026970E-02, 1.104726500E-05, -2.815618540E-08,
|
|
1.365839580E-11, 7.392198770E+03, 1.460220980E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.483477340E+00, 2.577720410E-03, -1.009458310E-06, 1.723140720E-10,
|
|
-1.071540150E-14, 5.709194280E+03, -1.416181550E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO3- -->
|
|
<species name="NO3-">
|
|
<atomArray>E:1 O:3 N:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.212585210E+00, 1.715451930E-02, -1.052704570E-05, -1.160740970E-09,
|
|
2.331149980E-12, -3.840777130E+04, 1.799338650E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.884047390E+00, 3.160629820E-03, -1.230487820E-06, 2.092579890E-10,
|
|
-1.297954710E-14, -4.005481520E+04, -1.170870970E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NO3F -->
|
|
<species name="NO3F">
|
|
<atomArray>F:1 O:3 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.036357100E+00, 2.878409800E-02, -3.484034100E-05, 2.176017300E-08,
|
|
-5.649643600E-12, 1.850681700E+02, 1.644354280E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.289479000E+00, 4.601813700E-03, -2.218706700E-06, 4.512975800E-10,
|
|
-3.324065400E-14, -1.646851600E+03, -2.008892420E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2 -->
|
|
<species name="N2">
|
|
<atomArray>N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.531005280E+00, -1.236609870E-04, -5.029994370E-07, 2.435306120E-09,
|
|
-1.408812350E-12, -1.046976280E+03, 2.967474680E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.952576260E+00, 1.396900570E-03, -4.926316910E-07, 7.860103670E-11,
|
|
-4.607553210E-15, -9.239486450E+02, 5.871892520E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2+ -->
|
|
<species name="N2+">
|
|
<atomArray>E:-1 N:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.775407110E+00, -2.064591570E-03, 4.757523010E-06, -3.156642280E-09,
|
|
6.705099730E-13, 1.804811150E+05, 2.693221860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.586613630E+00, 2.530719490E-04, 1.847782140E-07, -4.552572230E-11,
|
|
3.268180290E-15, 1.803909940E+05, 3.095841500E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2- -->
|
|
<species name="N2-">
|
|
<atomArray>E:1 N:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.882684800E+00, -3.192444600E-03, 8.522783800E-06, -7.340374600E-09,
|
|
2.205681500E-12, 1.679693500E+04, 3.111805200E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.115675300E+00, 1.458868800E-03, -6.017314800E-07, 1.134842300E-10,
|
|
-7.965851800E-15, 1.685905800E+04, 6.389856000E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NCN -->
|
|
<species name="NCN">
|
|
<atomArray>C:1 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.241340330E+00, 8.500913460E-03, -7.616081400E-06, 3.649865850E-09,
|
|
-8.425518720E-13, 5.894773700E+04, 6.709564500E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.738155140E+00, 1.772446060E-03, -6.857511310E-07, 1.157119800E-10,
|
|
-7.075679070E-15, 5.822148900E+04, -6.305336650E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species cis-N2D2 -->
|
|
<species name="cis-N2D2">
|
|
<atomArray>D:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.873358990E+00, -2.623287910E-03, 2.630758190E-05, -3.130087440E-08,
|
|
1.181099990E-11, 2.369483440E+04, 4.749491600E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.514553080E+00, 5.189013180E-03, -1.936842880E-06, 3.205759670E-10,
|
|
-1.952086240E-14, 2.302303960E+04, -9.526622540E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2F2 -->
|
|
<species name="N2F2">
|
|
<atomArray>F:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.805892600E+00, 1.925196700E-02, -2.369774400E-05, 1.461686100E-08,
|
|
-3.645160300E-12, 5.994441900E+03, 1.148415070E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.667192300E+00, 2.594662700E-03, -1.134602300E-06, 2.203526800E-10,
|
|
-1.578865800E-14, 4.813999900E+03, -1.282929130E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2F4 -->
|
|
<species name="N2F4">
|
|
<atomArray>F:4 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.878129400E-01, 5.002952400E-02, -7.367670800E-05, 5.252345500E-08,
|
|
-1.471296100E-11, -4.610108600E+03, 2.048571920E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.291506600E+01, 3.508136200E-03, -1.554689000E-06, 3.045621800E-10,
|
|
-2.195235400E-14, -7.200818900E+03, -3.771089980E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2H2 -->
|
|
<species name="N2H2">
|
|
<atomArray>H:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.910660160E+00, -1.077918660E-02, 3.865164410E-05, -3.865016280E-08,
|
|
1.348521000E-11, 2.422427270E+04, 9.102797030E-02</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.311150860E+00, 9.001872720E-03, -3.149118660E-06, 4.814496900E-10,
|
|
-2.718979830E-14, 2.478641670E+04, 1.640910850E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NH2NO2 -->
|
|
<species name="NH2NO2">
|
|
<atomArray>H:2 O:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.173101050E+00, 1.431622990E-02, 1.090316190E-05, -2.767146770E-08,
|
|
1.298686870E-11, -4.459061210E+03, 1.538311660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.388909980E+00, 7.651880260E-03, -2.750870390E-06, 4.446228860E-10,
|
|
-2.664881220E-14, -6.217670340E+03, -1.327370000E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2H4 -->
|
|
<species name="N2H4">
|
|
<atomArray>H:4 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.834721490E+00, -6.491295550E-04, 3.768484630E-05, -5.007091820E-08,
|
|
2.033620640E-11, 1.008939250E+04, 5.752720300E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.939573570E+00, 8.750171870E-03, -2.993990580E-06, 4.672784180E-10,
|
|
-2.730685990E-14, 9.282655480E+03, -2.694397720E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2O -->
|
|
<species name="N2O">
|
|
<atomArray>O:1 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.257168600E+00, 1.130463380E-02, -1.367103500E-05, 9.681620980E-09,
|
|
-2.930555830E-12, 8.741771460E+03, 1.075791540E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.823188730E+00, 2.626852790E-03, -9.584260580E-07, 1.599912960E-10,
|
|
-9.774169390E-15, 8.073356620E+03, -2.202366000E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2O+ -->
|
|
<species name="N2O+">
|
|
<atomArray>E:-1 O:1 N:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.286889780E+00, 7.402345630E-03, -4.866885520E-06, 7.331410380E-10,
|
|
2.981616830E-13, 1.590545470E+05, 7.401465040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.528597300E+00, 1.959569700E-03, -7.537582280E-07, 1.270459110E-10,
|
|
-7.802076250E-15, 1.583759020E+05, -4.418967000E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2O3 -->
|
|
<species name="N2O3">
|
|
<atomArray>O:3 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.810839640E+00, 1.433309620E-02, -1.962085970E-05, 1.730607350E-08,
|
|
-6.465539540E-12, 8.191844530E+03, 1.204613210E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.085838450E+00, 3.377563300E-03, -1.315838900E-06, 2.307623290E-10,
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|
-1.471512670E-14, 7.271601460E+03, -1.553619040E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2O4 -->
|
|
<species name="N2O4">
|
|
<atomArray>O:4 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.020023080E+00, 2.959043210E-02, -3.013424580E-05, 1.423604070E-08,
|
|
-2.441000490E-12, -6.400401620E+02, 1.180596060E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.157528990E+01, 4.016160860E-03, -1.571783230E-06, 2.682743090E-10,
|
|
-1.669220190E-14, -2.921912260E+03, -3.194884390E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N2O5 -->
|
|
<species name="N2O5">
|
|
<atomArray>O:5 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.687674440E+00, 3.921207980E-02, -5.537700290E-05, 4.200978330E-08,
|
|
-1.312607100E-11, -8.302911840E+02, 1.219678660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.311080820E+01, 4.874357910E-03, -1.875483890E-06, 3.163741210E-10,
|
|
-1.959268450E-14, -3.116347000E+03, -3.468776920E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N3 -->
|
|
<species name="N3">
|
|
<atomArray>N:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.860630380E+00, 4.248835490E-03, 5.145721360E-06, -1.014784060E-08,
|
|
4.418783980E-12, 5.136920930E+04, 9.115961310E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.641106960E+00, 2.769607000E-03, -1.049175820E-06, 1.753407200E-10,
|
|
-1.074827040E-14, 5.069842380E+04, -9.401354560E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species N3H -->
|
|
<species name="N3H">
|
|
<atomArray>H:1 N:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.885108810E+00, 9.443434510E-03, -3.879193360E-06, -1.894040110E-09,
|
|
1.601841320E-12, 3.411720380E+04, 9.716878180E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.147002910E+00, 4.305612650E-03, -1.527045750E-06, 2.462957740E-10,
|
|
-1.471441640E-14, 3.342839860E+04, -2.255291030E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na -->
|
|
<species name="Na">
|
|
<atomArray>Na:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000050E+00, -4.984923230E-10, 1.760340860E-12, -2.544616020E-15,
|
|
1.276038720E-18, 1.215977520E+04, 4.244027730E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.398588790E+00, 2.154669970E-04, -1.490775680E-07, 3.668217950E-11,
|
|
-1.660360370E-15, 1.219430690E+04, 4.791811200E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na+ -->
|
|
<species name="Na+">
|
|
<atomArray>Na:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 7.254132500E+04, 3.550845040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 7.254132500E+04, 3.550845040E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaALF4 -->
|
|
<species name="NaALF4">
|
|
<atomArray>Na:1 Al:1 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.305214500E+00, 4.496803400E-02, -7.432378700E-05, 5.808086100E-08,
|
|
-1.749955600E-11, -2.241498800E+05, 6.371845990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.427155300E+01, 1.980019100E-03, -8.815148400E-07, 1.732214800E-10,
|
|
-1.251291500E-14, -2.261234700E+05, -4.127551800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaBO2 -->
|
|
<species name="NaBO2">
|
|
<atomArray>Na:1 B:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.065474900E+00, 1.345492600E-02, -1.386669300E-05, 6.639504200E-09,
|
|
-1.072867100E-12, -7.970015700E+04, 7.934816290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.496525000E+00, 2.630986200E-03, -1.097913600E-06, 2.049399800E-10,
|
|
-1.419314600E-14, -8.057859100E+04, -9.446301810E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaBr -->
|
|
<species name="NaBr">
|
|
<atomArray>Na:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.901089000E+00, 2.502540100E-03, -3.885108800E-06, 2.831849700E-09,
|
|
-7.722052800E-13, -1.855616100E+04, 6.188793230E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.443313500E+00, 1.578365700E-04, -2.798961900E-08, 5.384903800E-12,
|
|
-3.809405400E-16, -1.865948900E+04, 3.608582130E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaCN -->
|
|
<species name="NaCN">
|
|
<atomArray>Na:1 C:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.977255800E+00, 5.322593700E-03, -7.555244100E-06, 6.183979400E-09,
|
|
-2.007142700E-12, 9.673149000E+03, -3.882072810E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.798977500E+00, 1.682794600E-03, -6.743792400E-07, 1.223450200E-10,
|
|
-8.296609100E-15, 9.493344400E+03, -4.344260410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaCL -->
|
|
<species name="NaCL">
|
|
<atomArray>Na:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.703228600E+00, 3.199760800E-03, -4.892450200E-06, 3.463921800E-09,
|
|
-9.135752100E-13, -2.302827600E+04, 5.773479490E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.428293100E+00, 1.562724100E-04, -2.810838300E-08, 4.716357100E-12,
|
|
-2.883255700E-16, -2.317090000E+04, 2.300974590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaF -->
|
|
<species name="NaF">
|
|
<atomArray>Na:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.748718330E+00, 8.032432890E-03, -1.515635230E-05, 1.335922460E-08,
|
|
-4.451652440E-12, -3.600020740E+04, 8.681078120E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.333767960E+00, 2.568077770E-04, -6.942326210E-08, 1.196796170E-11,
|
|
-7.493083930E-16, -3.627978720E+04, 1.300463540E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaF2- -->
|
|
<species name="NaF2-">
|
|
<atomArray>Na:1 E:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.582688900E+00, 1.060521100E-02, -1.572050100E-05, 1.056729700E-08,
|
|
-2.641592000E-12, -8.223449700E+04, 1.489207610E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.122319300E+00, 4.188405500E-04, -1.797229900E-07, 3.404122900E-11,
|
|
-2.375193500E-15, -8.275573000E+04, -1.078667450E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaH -->
|
|
<species name="NaH">
|
|
<atomArray>Na:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.120395000E+00, 1.399621700E-03, 2.214123400E-06, -3.995079500E-09,
|
|
1.672617800E-12, 1.394006500E+04, 4.394561140E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.813057900E+00, 8.564380000E-04, -3.122681600E-07, 5.850247100E-11,
|
|
-4.051392400E-15, 1.368306200E+04, 4.841680870E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaI -->
|
|
<species name="NaI">
|
|
<atomArray>I:1 Na:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.040627500E+00, 1.968711100E-03, -3.054542400E-06, 2.255632300E-09,
|
|
-6.228683200E-13, -1.198804100E+04, 6.459801050E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.458457000E+00, 1.424127800E-04, -1.692627500E-08, 3.896008700E-12,
|
|
-2.796631100E-16, -1.206684300E+04, 4.475958750E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaO -->
|
|
<species name="NaO">
|
|
<atomArray>Na:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.442100700E+00, 4.161724100E-03, -6.311836800E-06, 4.447919900E-09,
|
|
-1.172048600E-12, 8.901147700E+03, 6.950325330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.392415800E+00, 2.132057400E-04, -4.522059800E-08, 7.975182100E-12,
|
|
-5.173598900E-16, 8.711899500E+03, 2.388089630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaO- -->
|
|
<species name="NaO-">
|
|
<atomArray>Na:1 E:1 O:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.418685500E+00, 4.211738200E-03, -6.310464600E-06, 4.387351500E-09,
|
|
-1.137263900E-12, -1.575223400E+04, 5.668556390E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.386800800E+00, 2.234467200E-04, -4.821247200E-08, 8.572086200E-12,
|
|
-5.609433400E-16, -1.594626800E+04, 1.013634790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaOH -->
|
|
<species name="NaOH">
|
|
<atomArray>Na:1 O:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.005038800E+00, 9.992204300E-03, -1.643421300E-05, 1.247658500E-08,
|
|
-3.463761000E-12, -2.530047100E+04, 2.306436040E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.646937700E+00, 1.222738500E-03, -3.327103600E-07, 4.066629800E-11,
|
|
-1.779068800E-15, -2.550822200E+04, -5.036874660E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NaOH+ -->
|
|
<species name="NaOH+">
|
|
<atomArray>Na:1 E:-1 O:1 H:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.350520400E+00, 8.746501500E-03, -1.464267300E-05, 1.135150100E-08,
|
|
-3.211002600E-12, 7.994639900E+04, 2.344840720E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.668854700E+00, 1.225393000E-03, -3.402956300E-07, 4.285326800E-11,
|
|
-1.959376000E-15, 7.980651400E+04, -3.424682680E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2 -->
|
|
<species name="Na2">
|
|
<atomArray>Na:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.115682610E+00, 2.529040400E-03, -5.621686450E-06, 6.461716650E-09,
|
|
-2.751283100E-12, 1.578246160E+04, 3.686724330E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.962019000E+00, -1.060495060E-03, -4.392797690E-07, 3.051748100E-10,
|
|
-3.394888160E-14, 1.499909270E+04, -6.696136470E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2C2N2 -->
|
|
<species name="Na2C2N2">
|
|
<atomArray>Na:2 C:2 N:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.036802900E+01, 1.334854700E-02, -1.991033400E-05, 1.615647500E-08,
|
|
-5.126455000E-12, -4.593752700E+03, -2.054944290E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.257278600E+01, 3.394731800E-03, -1.361693400E-06, 2.472095900E-10,
|
|
-1.677325400E-14, -5.049102100E+03, -3.107419790E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2CL2 -->
|
|
<species name="Na2CL2">
|
|
<atomArray>Na:2 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.958395300E+00, 8.396236000E-03, -1.381711600E-05, 1.027766600E-08,
|
|
-2.864499400E-12, -7.072593900E+04, -8.175324710E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.826200100E+00, 1.918476300E-04, -8.160874300E-08, 1.529818100E-11,
|
|
-1.055899400E-15, -7.107714900E+04, -1.703610090E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2F2 -->
|
|
<species name="Na2F2">
|
|
<atomArray>Na:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.821219100E+00, 1.983639600E-02, -3.061761400E-05, 2.133704000E-08,
|
|
-5.534431400E-12, -1.038900500E+05, 2.366254590E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.433553000E+00, 6.361158800E-04, -2.762472000E-07, 5.291719000E-11,
|
|
-3.731035300E-15, -1.048011400E+05, -1.975299210E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2O -->
|
|
<species name="Na2O">
|
|
<atomArray>Na:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.778717700E+00, 9.948771600E-03, -1.481445600E-05, 1.000323900E-08,
|
|
-2.513787400E-12, -6.736020600E+03, 1.799476190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.147058200E+00, 3.983309900E-04, -1.740891100E-07, 3.356516200E-11,
|
|
-2.381080100E-15, -7.219126100E+03, -9.634810610E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2O2H2 -->
|
|
<species name="Na2O2H2">
|
|
<atomArray>Na:2 O:2 H:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.971293000E+00, 1.404927500E-02, -6.244514200E-06, -3.393574600E-09,
|
|
2.893376900E-12, -7.541293800E+04, -9.373864530E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.416074300E+00, 5.519652200E-03, -1.965961100E-06, 3.268034400E-10,
|
|
-2.071248500E-14, -7.636636900E+04, -1.885434970E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Na2SO4 -->
|
|
<species name="Na2SO4">
|
|
<atomArray>Na:2 S:1 O:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.072749800E+00, 5.458204700E-02, -7.854353300E-05, 5.510422100E-08,
|
|
-1.526667600E-11, -1.267695500E+05, 1.666882630E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.520612800E+01, 4.298426400E-03, -1.900840900E-06, 3.718753000E-10,
|
|
-2.678045700E-14, -1.296735700E+05, -4.765692170E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Nb -->
|
|
<species name="Nb">
|
|
<atomArray>Nb:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.475507400E+00, 2.053856400E-03, -6.967026300E-06, 6.802055900E-09,
|
|
-2.251771800E-12, 8.708774900E+04, 2.242436970E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.220590500E+00, -1.818743900E-03, 8.237394300E-07, -1.183289900E-10,
|
|
5.363705300E-15, 8.696071300E+04, -1.184686430E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NbO -->
|
|
<species name="NbO">
|
|
<atomArray>Nb:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.921448500E+00, 3.132408200E-03, -1.490036900E-06, -9.934526000E-10,
|
|
7.998402000E-13, 2.290788600E+04, 1.123629370E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.881172900E+00, 8.197812200E-04, -4.253539000E-07, 1.026493600E-10,
|
|
-8.041980100E-15, 2.263713200E+04, 6.223641510E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NbO2 -->
|
|
<species name="NbO2">
|
|
<atomArray>Nb:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.576726810E+00, 6.358956280E-03, -5.964422090E-07, -6.342289560E-09,
|
|
3.708328210E-12, -2.538731850E+04, 1.062570080E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.051479480E+00, 9.751537070E-04, -3.826971080E-07, 6.541504200E-11,
|
|
-4.071590790E-15, -2.610086450E+04, -2.400156630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ne -->
|
|
<species name="Ne">
|
|
<atomArray>Ne:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 3.355322720E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, -7.453750000E+02, 3.355322720E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ne+ -->
|
|
<species name="Ne+">
|
|
<atomArray>E:-1 Ne:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.941069170E+00, 4.400165520E-03, -8.570474170E-06, 6.996916890E-09,
|
|
-2.115736250E-12, 2.502942750E+05, 6.991786940E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.903995570E+00, -3.637946350E-04, 1.318733590E-07, -2.142092100E-11,
|
|
1.287784990E-15, 2.501437260E+05, 2.563103320E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ni -->
|
|
<species name="Ni">
|
|
<atomArray>Ni:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.776665400E+00, -7.522063800E-04, 4.325611300E-06, -5.473128700E-09,
|
|
2.110756500E-12, 5.090908300E+04, 6.168232530E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.206149000E+00, -2.096992300E-04, -2.283644800E-08, 1.508521100E-11,
|
|
-1.000444500E-15, 5.070812600E+04, 3.531716230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NiCL -->
|
|
<species name="NiCL">
|
|
<atomArray>Ni:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.489775700E+00, 3.183793000E-03, -1.914891200E-06, -3.573631700E-10,
|
|
4.607476800E-13, 2.072593500E+04, 9.549744360E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.583651400E+00, -1.432957800E-03, 8.520772300E-07, -1.488639300E-10,
|
|
8.155162400E-15, 2.005650500E+04, -1.637321440E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NiCL2 -->
|
|
<species name="NiCL2">
|
|
<atomArray>Ni:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.560617700E+00, 1.361371300E-02, -2.366013300E-05, 1.961626400E-08,
|
|
-6.241729100E-12, -1.068357100E+04, 6.236194160E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.387453000E+00, 8.463759500E-04, -4.314954200E-07, 9.359084600E-11,
|
|
-7.191513900E-15, -1.123585700E+04, -7.188951040E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NiO -->
|
|
<species name="NiO">
|
|
<atomArray>Ni:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.991968200E+00, 3.330920800E-03, -1.535247100E-06, -1.564083300E-09,
|
|
1.212850100E-12, 3.674209400E+04, 9.821407360E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.104611400E+00, 4.865916000E-04, -1.878678400E-07, 3.553185500E-11,
|
|
-2.471516600E-15, 3.644564500E+04, 4.076796560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species NiS -->
|
|
<species name="NiS">
|
|
<atomArray>Ni:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.116810700E+00, 4.017352800E-03, -1.558391100E-06, -1.506353600E-09,
|
|
9.368388100E-13, 4.189685700E+04, 1.146773510E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.916047200E+00, 3.137745100E-04, -2.970181300E-07, 8.017972400E-11,
|
|
-6.725741800E-15, 4.132103200E+04, 1.818987970E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species O -->
|
|
<species name="O">
|
|
<atomArray>O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.168267100E+00, -3.279318840E-03, 6.643063960E-06, -6.128066240E-09,
|
|
2.112659710E-12, 2.912225920E+04, 2.051933460E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.543636970E+00, -2.731624860E-05, -4.190295200E-09, 4.954818450E-12,
|
|
-4.795536940E-16, 2.922601200E+04, 4.922294570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species O+ -->
|
|
<species name="O+">
|
|
<atomArray>E:-1 O:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
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|
0.000000000E+00, 1.879352910E+05, 4.393376890E+00</floatArray>
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<floatArray name="coeffs" size="7">
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2.487733170E+00, 2.176600160E-05, -1.089558060E-08, 1.259092120E-12,
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1.373167200E-16, 1.879399650E+05, 4.461340910E+00</floatArray>
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<species name="O-">
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<thermo>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.908059210E+00, -1.698049070E-03, 2.980699560E-06, -2.438351270E-09,
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7.612293130E-13, 1.141383410E+04, 2.803390840E+00</floatArray>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.544748680E+00, -4.666954190E-05, 1.849123100E-08, -3.181591310E-12,
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1.989628940E-16, 1.148227130E+04, 4.521310050E+00</floatArray>
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</NASA>
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<!-- species OD -->
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|
<species name="OD">
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<atomArray>D:1 O:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
4.034675100E+00, -2.456131300E-03, 3.961020100E-06, -1.853499600E-09,
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1.929534100E-13, 3.277050700E+03, 3.941861410E-01</floatArray>
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2.782910700E+00, 1.573956700E-03, -5.702078700E-07, 9.886440900E-11,
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-6.506201400E-15, 3.575981300E+03, 6.675671330E+00</floatArray>
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</species>
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<!-- species OH -->
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<species name="OH">
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<atomArray>H:1 O:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09,
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1.364114700E-12, 3.615080560E+03, -1.039254580E-01</floatArray>
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</NASA>
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2.838646070E+00, 1.107255860E-03, -2.939149780E-07, 4.205242470E-11,
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-2.421690920E-15, 3.943958520E+03, 5.844526620E+00</floatArray>
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<!-- species OH+ -->
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<species name="OH+">
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<atomArray>H:1 E:-1 O:1 </atomArray>
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<charge>1</charge>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.505025720E+00, 2.413137490E-04, -1.422009490E-06, 2.647802320E-09,
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|
-1.170387110E-12, 1.541271240E+05, 1.979076400E+00</floatArray>
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</NASA>
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<floatArray name="coeffs" size="7">
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|
2.683589970E+00, 1.570064320E-03, -5.399728050E-07, 9.376438590E-11,
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-5.700680550E-15, 1.543957440E+05, 6.443759010E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species OH- -->
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<species name="OH-">
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<atomArray>H:1 E:1 O:1 </atomArray>
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<charge>-1</charge>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.432799560E+00, 6.196563100E-04, -1.899309920E-06, 2.373659460E-09,
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|
-8.551037550E-13, -1.826130860E+04, 1.060536570E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.834057010E+00, 1.070580230E-03, -2.624593980E-07, 3.083764350E-11,
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-1.313838620E-15, -1.801869740E+04, 4.494647490E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species O2 -->
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|
<species name="O2">
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<atomArray>O:2 </atomArray>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.782456360E+00, -2.996734150E-03, 9.847302000E-06, -9.681295080E-09,
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|
3.243728360E-12, -1.063943560E+03, 3.657675730E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.660960830E+00, 6.563655230E-04, -1.411494850E-07, 2.057976580E-11,
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-1.299132480E-15, -1.215977250E+03, 3.415361840E+00</floatArray>
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</NASA>
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</thermo>
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</species>
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<!-- species O2+ -->
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<species name="O2+">
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<atomArray>E:-1 O:2 </atomArray>
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<charge>1</charge>
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<thermo>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.610171670E+00, -6.359519520E-03, 1.424256240E-05, -1.209979230E-08,
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|
3.709568780E-12, 1.397422290E+05, -2.013268740E-01</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.316759220E+00, 1.115222440E-03, -3.834925560E-07, 5.727846870E-11,
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|
-2.776483810E-15, 1.398768230E+05, 5.447264760E+00</floatArray>
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</NASA>
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<species name="O2-">
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<atomArray>E:1 O:2 </atomArray>
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<charge>-1</charge>
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<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.664425220E+00, -9.287411380E-04, 6.454770820E-06, -7.747033800E-09,
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2.933326620E-12, -6.870769830E+03, 4.351406740E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.956662940E+00, 5.981418230E-04, -2.121339050E-07, 3.632675810E-11,
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-2.249892280E-15, -7.062872290E+03, 2.278710100E+00</floatArray>
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</NASA>
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<!-- species O3 -->
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|
<species name="O3">
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<atomArray>O:3 </atomArray>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.407382210E+00, 2.053790630E-03, 1.384860520E-05, -2.233115420E-08,
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|
9.760732260E-12, 1.586449790E+04, 8.282475800E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
1.233029140E+01, -1.193247830E-02, 7.987412780E-06, -1.771945520E-09,
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1.260758240E-13, 1.267558310E+04, -4.088233740E+01</floatArray>
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</NASA>
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|
<!-- species P -->
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|
<species name="P">
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<atomArray>P:1 </atomArray>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.500042780E+00, -4.389686370E-07, 1.581317410E-09, -2.339004570E-12,
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1.205109400E-15, 3.730737540E+04, 5.384147290E+00</floatArray>
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</NASA>
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<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.807215550E+00, -5.308419880E-04, 2.445430460E-07, -2.057082520E-11,
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-2.945466190E-16, 3.718927480E+04, 3.677647330E+00</floatArray>
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<species name="P+">
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<atomArray>P:1 E:-1 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
4.379041700E+00, -6.466672300E-03, 8.934096200E-06, -5.485802100E-09,
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1.209885700E-12, 1.596478070E+05, -3.293740210E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.902154700E+00, -5.887889900E-04, 3.129811900E-07, -5.972753900E-11,
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3.930492500E-15, 1.599441270E+05, 3.833706490E+00</floatArray>
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|
<species name="PCL3">
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|
<atomArray>P:1 Cl:3 </atomArray>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
5.259053700E+00, 1.788056600E-02, -2.731758500E-05, 1.889824000E-08,
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|
-4.873849600E-12, -3.686443040E+04, 3.252329700E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
9.456611600E+00, 6.027840100E-04, -2.584687800E-07, 4.890428000E-11,
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-3.408328500E-15, -3.770455740E+04, -1.692964980E+01</floatArray>
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|
<!-- species PF -->
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|
<species name="PF">
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|
<atomArray>P:1 F:1 </atomArray>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.676086300E+00, 5.572216200E-03, -7.283779600E-06, 4.581943900E-09,
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|
-1.118810600E-12, -7.289161350E+03, 1.043418310E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
4.284440300E+00, 4.651319200E-05, 1.292315500E-07, -3.545968600E-11,
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|
2.930864200E-15, -7.675664950E+03, 2.401963810E+00</floatArray>
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</NASA>
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</thermo>
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</species>
|
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|
|
<!-- species PF+ -->
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|
<species name="PF+">
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|
<atomArray>P:1 E:-1 F:1 </atomArray>
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|
<charge>1</charge>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
3.940212200E+00, -5.378458200E-04, 3.935610600E-06, -4.672619400E-09,
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|
1.744583800E-12, 1.072525970E+05, 4.518503280E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.081618400E+00, 4.950691000E-04, -2.031980800E-07, 3.923484700E-11,
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-2.783033700E-15, 1.071458470E+05, 3.444416680E+00</floatArray>
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</NASA>
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</thermo>
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|
<!-- species PF- -->
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|
<species name="PF-">
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|
<atomArray>P:1 E:1 F:1 </atomArray>
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|
<charge>-1</charge>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
3.595137600E+00, 3.031290900E-03, -4.406291400E-06, 3.158347500E-09,
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|
-8.920626700E-13, -2.090409440E+04, 5.869906520E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.303769100E+00, 2.639263000E-04, -9.877430300E-08, 1.871182100E-11,
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|
-1.211025200E-15, -2.105814440E+04, 2.412291520E+00</floatArray>
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|
</NASA>
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|
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|
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|
|
<!-- species PF2 -->
|
|
<species name="PF2">
|
|
<atomArray>P:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.442852600E+00, 1.518633100E-02, -2.219692400E-05, 1.564893200E-08,
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|
-4.329837200E-12, -5.996098040E+04, 1.403711700E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.092658800E+00, 1.031332400E-03, -4.537102000E-07, 8.704558300E-11,
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|
-5.971405200E-15, -6.075532540E+04, -3.785130070E+00</floatArray>
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|
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|
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|
|
<!-- species PF2+ -->
|
|
<species name="PF2+">
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|
<atomArray>P:1 E:-1 F:2 </atomArray>
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|
<charge>1</charge>
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<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
2.470213600E+00, 1.492267600E-02, -2.157313900E-05, 1.505438600E-08,
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|
-4.126710900E-12, 5.556554060E+04, 1.326367400E+01</floatArray>
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</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
6.072615400E+00, 1.058824900E-03, -4.675816600E-07, 8.961229800E-11,
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|
-6.045421700E-15, 5.477693960E+04, -4.351671580E+00</floatArray>
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|
</NASA>
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|
</thermo>
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|
|
<!-- species PF3 -->
|
|
<species name="PF3">
|
|
<atomArray>P:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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|
2.362187800E+00, 2.282004500E-02, -2.765664200E-05, 1.449096200E-08,
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|
-2.460236000E-12, -1.167769030E+05, 1.368643200E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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8.434773300E+00, 1.739392000E-03, -7.511980800E-07, 1.434424700E-10,
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-1.009397900E-14, -1.181807830E+05, -1.646360200E+01</floatArray>
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|
<!-- species PF5 -->
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|
<species name="PF5">
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|
<atomArray>P:1 F:5 </atomArray>
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|
<thermo>
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|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
1.052324900E+00, 4.445400400E-02, -5.390142900E-05, 2.841668600E-08,
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|
-4.914326800E-12, -1.936323130E+05, 1.908901000E+01</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.284618400E+01, 3.510448500E-03, -1.519860400E-06, 2.910190400E-10,
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-2.053470800E-14, -1.963622630E+05, -3.947554200E+01</floatArray>
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|
<!-- species PH -->
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|
<species name="PH">
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<atomArray>P:1 H:1 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
3.680343300E+00, -1.275601800E-03, 2.593244200E-06, -8.435410700E-10,
|
|
-1.720860900E-13, 2.733396560E+04, 2.918641250E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.074544200E+00, 1.169894700E-03, -3.038165400E-07, 4.443631400E-11,
|
|
-2.700097500E-15, 2.742683160E+04, 5.768048550E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PH3 -->
|
|
<species name="PH3">
|
|
<atomArray>P:1 H:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.158193500E+00, 2.494149200E-03, 9.025525300E-06, -1.022790400E-08,
|
|
3.283425000E-12, -4.612372520E+02, 6.237224860E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.344879400E+00, 6.577094100E-03, -2.633675500E-06, 4.774466000E-10,
|
|
-3.235439000E-14, -8.161767520E+02, 3.954796260E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PO -->
|
|
<species name="PO">
|
|
<atomArray>P:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.961308000E+00, -2.123539900E-03, 7.520121900E-06, -7.595091200E-09,
|
|
2.563759100E-12, -4.698968950E+03, 4.583692210E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.842792200E+00, 7.236445600E-04, -2.893419900E-07, 5.301355400E-11,
|
|
-3.549537300E-15, -4.799454950E+03, 4.552377410E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PO2 -->
|
|
<species name="PO2">
|
|
<atomArray>P:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.334527300E+00, 1.250210000E-02, -1.433619500E-05, 7.676216600E-09,
|
|
-1.540169400E-12, -3.896886540E+04, 1.405443500E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.691327800E+00, 1.480686600E-03, -6.542569200E-07, 1.279323100E-10,
|
|
-9.209927700E-15, -3.979472540E+04, -2.819722010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species P2 -->
|
|
<species name="P2">
|
|
<atomArray>P:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.839110700E+00, 4.826619300E-03, -5.494748800E-06, 2.580050700E-09,
|
|
-3.223645300E-13, 1.625970730E+04, 8.842410190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.161173300E+00, 3.962080000E-04, -1.558033900E-07, 2.909347400E-11,
|
|
-2.004245800E-15, 1.594686930E+04, 2.241092490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species P4 -->
|
|
<species name="P4">
|
|
<atomArray>P:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.535330000E+00, 2.412529200E-02, -3.646275900E-05, 2.491690600E-08,
|
|
-6.329856300E-12, 5.235533590E+03, 7.755895670E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.226278900E+00, 8.689412800E-04, -3.775833800E-07, 7.237966600E-11,
|
|
-5.106610900E-15, 4.090549590E+03, -1.964170490E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species P4O10 -->
|
|
<species name="P4O10">
|
|
<atomArray>P:4 O:10 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-4.414288300E+00, 1.375908100E-01, -1.926859800E-04, 1.327206800E-07,
|
|
-3.631137800E-11, -3.526295230E+05, 4.017822600E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.893965900E+01, 1.245209600E-02, -5.485432000E-06, 1.070474300E-09,
|
|
-7.695685700E-14, -3.601486330E+05, -1.238594470E+02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Pb -->
|
|
<species name="Pb">
|
|
<atomArray>Pb:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.502290050E+00, -2.440536430E-05, 9.170825780E-08, -1.428177710E-10,
|
|
7.837621960E-14, 2.273149190E+04, 6.840093220E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.163423790E+00, -3.496377230E-03, 2.282631700E-06, -4.767492420E-10,
|
|
3.222238000E-14, 2.216874990E+04, -2.135253050E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbBr -->
|
|
<species name="PbBr">
|
|
<atomArray>Pb:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.190684000E+00, 1.341117800E-03, -2.097899400E-06, 1.551090800E-09,
|
|
-4.261791200E-13, 7.236946900E+03, 8.574778190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.726876600E+00, -4.391839000E-04, 3.321558200E-07, -6.530724000E-11,
|
|
4.272611200E-15, 7.098895900E+03, 5.867351590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbBr2 -->
|
|
<species name="PbBr2">
|
|
<atomArray>Pb:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.390209100E+00, 2.528905000E-03, -4.190374300E-06, 3.136752300E-09,
|
|
-8.797674500E-13, -1.454179200E+04, 3.817529290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.947290600E+00, 6.019900100E-05, -2.655668500E-08, 5.159601200E-12,
|
|
-3.683705000E-16, -1.464544100E+04, 1.180157990E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbBr4 -->
|
|
<species name="PbBr4">
|
|
<atomArray>Pb:1 Br:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.137936600E+01, 6.662587200E-03, -1.094064800E-05, 8.109473900E-09,
|
|
-2.249557500E-12, -5.849543100E+04, -1.514016800E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.285697300E+01, 1.632394000E-04, -7.197039000E-08, 1.397574900E-11,
|
|
-9.973618700E-16, -5.877209500E+04, -2.214575000E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbCL -->
|
|
<species name="PbCL">
|
|
<atomArray>Pb:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.897291200E+00, 2.486746400E-03, -3.915714400E-06, 2.849428300E-09,
|
|
-7.726658000E-13, 5.686257900E+02, 8.428473640E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.701653500E+00, -4.225517100E-04, 3.268477900E-07, -6.516214700E-11,
|
|
4.297860200E-15, 3.779799100E+02, 4.437441740E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbCL+ -->
|
|
<species name="PbCL+">
|
|
<atomArray>Pb:1 E:-1 Cl:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.960480800E+00, 2.251138400E-03, -3.555930200E-06, 2.613096500E-09,
|
|
-7.190128400E-13, 8.842137000E+04, 7.587742850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.459169700E+00, 9.740730700E-05, -4.882113400E-09, -2.547224600E-12,
|
|
6.247087700E-16, 8.832584700E+04, 5.213100650E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbCL2 -->
|
|
<species name="PbCL2">
|
|
<atomArray>Pb:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.639940700E+00, 5.462213400E-03, -8.805687200E-06, 6.419723000E-09,
|
|
-1.751859100E-12, -2.279233600E+04, 4.727904850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.840167800E+00, 2.060130800E-04, -1.002343400E-07, 1.926277200E-11,
|
|
-8.794141900E-16, -2.301636200E+04, -9.637551090E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbCL2+ -->
|
|
<species name="PbCL2+">
|
|
<atomArray>Pb:1 E:-1 Cl:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.565387600E+00, 5.746841700E-03, -9.244504100E-06, 6.725688800E-09,
|
|
-1.831385800E-12, 9.633498500E+04, 5.249054000E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.841883700E+00, 1.979247300E-04, -9.656282200E-08, 2.010644000E-11,
|
|
-1.324657900E-15, 9.609401800E+04, -8.160434800E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbCL4 -->
|
|
<species name="PbCL4">
|
|
<atomArray>Pb:1 Cl:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.628297900E+00, 1.345643800E-02, -2.157173100E-05, 1.563821500E-08,
|
|
-4.241492200E-12, -6.974648700E+04, -1.213484820E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.266967300E+01, 3.751225600E-04, -1.646537000E-07, 3.184885500E-11,
|
|
-2.265094700E-15, -7.032915100E+04, -2.662383220E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbF -->
|
|
<species name="PbF">
|
|
<atomArray>Pb:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.245448200E+00, 4.693616600E-03, -6.978002800E-06, 4.745930400E-09,
|
|
-1.198392800E-12, -1.077707300E+04, 1.044373200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.605219600E+00, -3.262221700E-04, 2.829825300E-07, -5.712059400E-11,
|
|
3.739781300E-15, -1.108691700E+04, 3.740594230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbF2 -->
|
|
<species name="PbF2">
|
|
<atomArray>Pb:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.129569400E+00, 1.056162600E-02, -1.580814400E-05, 1.072574800E-08,
|
|
-2.709389000E-12, -5.391612100E+04, 9.140424850E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.635459300E+00, 4.117310900E-04, -1.800460900E-07, 3.472898400E-11,
|
|
-2.464526900E-15, -5.442505900E+04, -2.946861950E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbF4 -->
|
|
<species name="PbF4">
|
|
<atomArray>Pb:1 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.274538700E+00, 2.457628200E-02, -3.656753700E-05, 2.466326600E-08,
|
|
-6.187600800E-12, -1.390091700E+05, -1.529585490E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.212777400E+01, 9.842104600E-04, -4.300615900E-07, 8.290242100E-11,
|
|
-5.880020200E-15, -1.402034500E+05, -2.979094400E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbI -->
|
|
<species name="PbI">
|
|
<atomArray>Pb:1 I:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.307339500E+00, 8.566823200E-04, -1.316455400E-06, 9.718723900E-10,
|
|
-2.652674400E-13, 1.164574400E+04, 8.941329360E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.718611200E+00, -4.188223600E-04, 3.097084700E-07, -5.920335300E-11,
|
|
3.877397000E-15, 1.153411000E+04, 6.839194060E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbI2 -->
|
|
<species name="PbI2">
|
|
<atomArray>Pb:1 I:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.716922500E+00, 1.184987900E-03, -1.979155500E-06, 1.492737800E-09,
|
|
-4.218964600E-13, -2.422950500E+03, 4.696755990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.976110800E+00, 2.747457100E-05, -1.220421600E-08, 2.386248900E-12,
|
|
-1.713376800E-16, -2.470789800E+03, 3.471736490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbI4 -->
|
|
<species name="PbI4">
|
|
<atomArray>Pb:1 I:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.215026600E+01, 3.538708100E-03, -5.878243400E-06, 4.407215900E-09,
|
|
-1.237405000E-12, -3.073356500E+04, -1.397813230E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.292766100E+01, 8.299828600E-05, -3.678166700E-08, 7.176429400E-12,
|
|
-5.143095700E-16, -3.087762900E+04, -1.765575930E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbO -->
|
|
<species name="PbO">
|
|
<atomArray>Pb:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.653986700E+00, 6.664411500E-03, -1.031236300E-05, 7.666325900E-09,
|
|
-2.217386400E-12, 7.443751300E+03, 1.215671300E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.113624200E+00, 5.377885700E-04, -2.376339400E-07, 4.242568800E-11,
|
|
-1.229404400E-15, 7.151926000E+03, 5.150413190E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species PbS -->
|
|
<species name="PbS">
|
|
<atomArray>Pb:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.477453200E+00, 3.970029500E-03, -6.109668900E-06, 4.300868200E-09,
|
|
-1.131154900E-12, 1.468475100E+04, 9.477809410E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.091152200E+00, 8.388535900E-04, -5.715720700E-07, 1.616047600E-10,
|
|
-1.251189700E-14, 1.460169500E+04, 6.700748010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Pb2 -->
|
|
<species name="Pb2">
|
|
<atomArray>Pb:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.050122200E+00, 2.023000100E-03, -2.970134600E-06, 2.178595700E-09,
|
|
-5.975532700E-13, 3.873164000E+04, 1.027199200E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.459834000E+00, 2.400638100E-04, -1.925986300E-08, 3.645693700E-12,
|
|
-2.538093400E-16, 3.865404900E+04, 8.324960490E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S -->
|
|
<species name="S">
|
|
<atomArray>S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.317256160E+00, 4.780183420E-03, -1.420826740E-05, 1.565695380E-08,
|
|
-5.965882990E-12, 3.250689760E+04, 6.062424340E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.879364980E+00, -5.110503880E-04, 2.538067190E-07, -4.454554580E-11,
|
|
2.667173620E-15, 3.250137910E+04, 3.981406470E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S+ -->
|
|
<species name="S+">
|
|
<atomArray>S:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.534781450E+05, 5.436270190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.465243590E+00, 1.142572120E-04, -1.195726990E-07, 4.387713590E-11,
|
|
-3.805236390E-15, 1.534854220E+05, 5.608213710E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S- -->
|
|
<species name="S-">
|
|
<atomArray>S:1 E:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.513530700E+00, 1.935168570E-03, -5.384383570E-06, 5.403133560E-09,
|
|
-1.890536840E-12, 7.643030060E+03, 5.132820020E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.729480600E+00, -2.248949280E-04, 8.586488540E-08, -1.442561690E-11,
|
|
8.874911960E-16, 7.659800690E+03, 4.399027260E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SCL -->
|
|
<species name="SCL">
|
|
<atomArray>S:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.705588000E+00, 5.271862300E-03, -1.137182000E-05, 1.049782700E-08,
|
|
-3.531840800E-12, 1.756115900E+04, 6.279451230E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.594726000E+00, -5.977178600E-05, 4.522649500E-08, -9.371843500E-12,
|
|
8.073572700E-16, 1.745242600E+04, 2.379851530E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SCL2 -->
|
|
<species name="SCL2">
|
|
<atomArray>S:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.596637100E+00, 1.432719300E-02, -2.519919700E-05, 2.057288200E-08,
|
|
-6.397690800E-12, -3.637583700E+03, 1.006055570E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.627146200E+00, 4.274701900E-04, -1.881688100E-07, 3.576115500E-11,
|
|
-2.384940000E-15, -4.200021900E+03, -4.232370250E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SCL2+ -->
|
|
<species name="SCL2+">
|
|
<atomArray>S:1 E:-1 Cl:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.595872700E+00, 1.429166500E-02, -2.508499800E-05, 2.044689300E-08,
|
|
-6.350466900E-12, 1.069028300E+05, 1.075583370E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.580257000E+00, 5.217640000E-04, -2.507697900E-07, 5.098812400E-11,
|
|
-3.273029200E-15, 1.063548600E+05, -3.294938320E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SD -->
|
|
<species name="SD">
|
|
<atomArray>S:1 D:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.728559700E+00, -5.093988100E-03, 9.913460500E-06, -7.329081300E-09,
|
|
1.946160800E-12, 1.539957900E+04, -1.568479520E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.347198800E+00, 1.212964600E-03, -4.773013800E-07, 8.832366900E-11,
|
|
-6.074059100E-15, 1.562714700E+04, 4.877641980E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF -->
|
|
<species name="SF">
|
|
<atomArray>S:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.420817500E+00, 4.551119800E-03, -7.937256400E-06, 6.500471100E-09,
|
|
-2.028966500E-12, 3.960950300E+02, 6.547005830E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.369088500E+00, 1.920442400E-04, -6.663036500E-08, 1.244859000E-11,
|
|
-7.653749400E-16, 2.201852600E+02, 2.075968630E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF+ -->
|
|
<species name="SF+">
|
|
<atomArray>S:1 E:-1 F:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.666664800E+00, 5.697549100E-03, -7.605742200E-06, 4.911945500E-09,
|
|
-1.241451400E-12, 1.183103300E+05, 1.051501930E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.280724800E+00, 1.036743300E-04, 5.544166500E-08, -1.143329500E-11,
|
|
5.584690600E-16, 1.179219200E+05, 2.459394670E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF- -->
|
|
<species name="SF-">
|
|
<atomArray>S:1 E:1 F:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.759793600E+00, 6.865822000E-03, -1.131451900E-05, 8.874637000E-09,
|
|
-2.678427000E-12, -2.348630600E+04, 8.993506810E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.127067200E+00, 6.256934000E-04, -3.124698600E-07, 7.172247600E-11,
|
|
-4.706140400E-15, -2.373488100E+04, 2.553694110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF2 -->
|
|
<species name="SF2">
|
|
<atomArray>S:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.410305600E+00, 1.559012100E-02, -2.317801800E-05, 1.658349700E-08,
|
|
-4.646576100E-12, -3.691637300E+04, 1.350668030E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.119419600E+00, 1.005142400E-03, -4.465331300E-07, 8.762401000E-11,
|
|
-6.323651200E-15, -3.771424100E+04, -4.557174110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF2+ -->
|
|
<species name="SF2+">
|
|
<atomArray>S:1 E:-1 F:2 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.427149000E+00, 1.551754600E-02, -2.306025900E-05, 1.649961200E-08,
|
|
-4.624641800E-12, 8.323955700E+04, 1.412788660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.120900000E+00, 9.998481700E-04, -4.399293200E-07, 8.436813700E-11,
|
|
-5.779537800E-15, 8.244458500E+04, -3.863075420E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF2- -->
|
|
<species name="SF2-">
|
|
<atomArray>S:1 E:1 F:2 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.290050300E+00, 1.553861200E-02, -2.723660400E-05, 2.218279900E-08,
|
|
-6.886215600E-12, -4.939192500E+04, 9.817477630E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.584712300E+00, 4.788609000E-04, -2.140544000E-07, 4.217570300E-11,
|
|
-3.052391000E-15, -5.000570500E+04, -5.733347870E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF3 -->
|
|
<species name="SF3">
|
|
<atomArray>S:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.877772800E+00, 3.123403500E-02, -5.157137900E-05, 4.024732200E-08,
|
|
-1.211059400E-11, -6.206793900E+04, 1.636943610E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.807689700E+00, 1.367167600E-03, -6.080833300E-07, 1.188302200E-10,
|
|
-8.447091500E-15, -6.344049400E+04, -1.676488690E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF3+ -->
|
|
<species name="SF3+">
|
|
<atomArray>S:1 E:-1 F:3 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.001850800E+00, 2.975515500E-02, -4.335679400E-05, 3.055496400E-08,
|
|
-8.463347900E-12, 4.604418400E+04, 1.944450080E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.138501600E+00, 2.128891400E-03, -9.483682200E-07, 1.860743600E-10,
|
|
-1.327172900E-14, 4.448673000E+04, -1.542124220E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SF3- -->
|
|
<species name="SF3-">
|
|
<atomArray>S:1 E:1 F:3 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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1.878876100E+00, 3.122617400E-02, -5.155174900E-05, 4.022678800E-08,
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1.281964500E+00, 4.356989900E-02, -7.012516800E-05, 5.367724400E-08,
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1.112438300E+01, 2.145799400E-03, -9.545244400E-07, 1.874611100E-10,
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1.961581300E+00, 4.213209400E-02, -6.915556500E-05, 5.372066600E-08,
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4.079376200E+00, 3.783950300E-02, -6.690465700E-05, 5.482243400E-08,
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1.200332600E+01, 1.200771300E-03, -5.739827400E-07, 1.229938500E-10,
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<!-- species SF5 -->
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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-1.714766200E+00, 6.871600800E-02, -1.140793300E-04, 8.933637900E-08,
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1.361056300E+01, 2.652313000E-03, -1.169146300E-06, 2.424513200E-10,
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-1.831471800E-14, -1.140029300E+05, -4.301510120E+01</floatArray>
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<!-- species SF5+ -->
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<species name="SF5+">
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<atomArray>S:1 E:-1 F:5 </atomArray>
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<charge>1</charge>
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-1.716486100E+00, 6.894004600E-02, -1.147105100E-04, 8.997786500E-08,
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1.368421600E+01, 2.517702300E-03, -1.085439300E-06, 2.253374500E-10,
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<species name="SF5-">
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<atomArray>S:1 E:1 F:5 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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1.847764900E+00, 5.837636900E-02, -1.013131400E-04, 8.195697700E-08,
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-2.531950500E-11, -1.549932600E+05, 1.385388440E+01</floatArray>
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<floatArray name="coeffs" size="7">
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1.432191000E+01, 1.931303300E-03, -8.621993600E-07, 1.697239500E-10,
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-1.227486000E-14, -1.573431500E+05, -4.515925360E+01</floatArray>
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<species name="SF6">
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<atomArray>S:1 F:6 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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-3.838808800E+00, 8.322172100E-02, -1.318168900E-04, 9.963615400E-08,
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-2.924876700E-11, -1.483647700E+05, 3.716114260E+01</floatArray>
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1.516295000E+01, 4.384231800E-03, -1.948633700E-06, 3.824719600E-10,
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<atomArray>S:1 E:1 F:6 </atomArray>
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1.542864600E+01, 4.084531700E-03, -1.816490300E-06, 3.566732800E-10,
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<!-- species SH -->
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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4.442032200E+00, -2.435919700E-03, 1.906457600E-06, 9.916663000E-10,
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3.001453700E+00, 1.339495700E-03, -4.678966300E-07, 7.880401500E-11,
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3.942297100E+00, -2.003551500E-03, 7.353464400E-06, -7.516856000E-09,
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2.559109800E-12, 3.056394900E+04, 4.580308050E+00</floatArray>
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3.849397600E+00, 7.275678800E-04, -2.937020300E-07, 5.501362800E-11,
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<!-- species SO -->
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3.149023300E+00, 1.183934700E-03, 2.574068600E-06, -4.444341900E-09,
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1.873515900E-12, -4.040757100E+02, 8.319879150E+00</floatArray>
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4.014287300E+00, 2.702281700E-04, 8.289666700E-08, -3.432374100E-11,
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3.112144400E-15, -7.105195600E+02, 3.499735050E+00</floatArray>
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<species name="SOF2">
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<atomArray>S:1 O:1 F:2 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.474906600E+00, 2.095242600E-02, -2.416427700E-05, 1.212037700E-08,
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-1.933873100E-12, -6.689760200E+04, 1.419734040E+01</floatArray>
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8.087421200E+00, 2.109571600E-03, -9.086691200E-07, 1.734483400E-10,
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-1.221415800E-14, -6.823815900E+04, -1.385559160E+01</floatArray>
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<!-- species SO2 -->
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<species name="SO2">
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<atomArray>S:1 O:2 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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3.266533800E+00, 5.323790200E-03, 6.843755200E-07, -5.281004700E-09,
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2.559045400E-12, -3.690814800E+04, 9.664651080E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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5.245136400E+00, 1.970420400E-03, -8.037576900E-07, 1.514996900E-10,
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-1.055800400E-14, -3.755822700E+04, -1.074048920E+00</floatArray>
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<!-- species SO2CLF -->
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<species name="SO2CLF">
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<atomArray>S:1 F:1 O:2 Cl:1 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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2.981752800E+00, 2.644916700E-02, -2.920018200E-05, 1.395761100E-08,
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-2.030448700E-12, -6.876149700E+04, 1.273168120E+01</floatArray>
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</NASA>
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<floatArray name="coeffs" size="7">
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1.011828600E+01, 3.148899400E-03, -1.347151400E-06, 2.558031000E-10,
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-1.793825600E-14, -7.050929100E+04, -2.312785080E+01</floatArray>
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|
<!-- species SO2CL2 -->
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|
<species name="SO2CL2">
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<atomArray>S:1 O:2 Cl:2 </atomArray>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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4.385167700E+00, 2.321215700E-02, -2.653211200E-05, 1.349992300E-08,
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-2.281928100E-12, -4.480297400E+04, 6.578678800E+00</floatArray>
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1.055093700E+01, 2.673430100E-03, -1.142823000E-06, 2.168620000E-10,
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<!-- species SO2F2 -->
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|
<species name="SO2F2">
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<atomArray>S:1 O:2 F:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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1.732468000E+00, 2.850176000E-02, -2.945379800E-05, 1.240130000E-08,
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9.607888500E+00, 3.711102600E-03, -1.589911400E-06, 3.023246400E-10,
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|
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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2.578038500E+00, 1.455633500E-02, -9.176417300E-06, -7.920302200E-10,
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1.970947300E-12, -4.893175300E+04, 1.226513840E+01</floatArray>
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7.075737600E+00, 3.176338700E-03, -1.353576000E-06, 2.563091200E-10,
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|
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<atomArray>S:2 </atomArray>
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<thermo>
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<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
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2.858575400E+00, 5.175835500E-03, -6.549343400E-06, 3.399864300E-09,
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3.988606900E+00, 5.577505100E-04, -5.018927800E-08, -1.547031900E-11,
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2.666177100E-15, 1.419801500E+04, 4.491191590E+00</floatArray>
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<!-- species S2CL -->
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|
<species name="S2CL">
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<atomArray>S:2 Cl:1 </atomArray>
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|
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<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
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2.974269320E+00, 1.907829040E-02, -3.762654130E-05, 3.403749790E-08,
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6.623204180E+00, 4.182846340E-04, -1.756591200E-07, 3.097183840E-11,
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|
|
3.479057080E+00, 3.253700280E-02, -6.639046200E-05, 6.211248450E-08,
|
|
-2.171123250E-11, -4.022255670E+03, 1.227918240E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.468410200E+00, 1.121863520E-03, -6.927842800E-07, 1.386544630E-10,
|
|
-9.293978390E-15, -5.050195240E+03, -1.529504410E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S2F2,thiothiony -->
|
|
<species name="S2F2,thiothiony">
|
|
<atomArray>S:2 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.493723930E+00, 3.425756350E-02, -5.946568310E-05, 4.876903440E-08,
|
|
-1.537616840E-11, -4.981034900E+04, 1.873751380E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.940186710E+00, 1.104501870E-03, -4.362276570E-07, 7.462984780E-11,
|
|
-4.620439510E-15, -5.125747460E+04, -1.667391370E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S2O -->
|
|
<species name="S2O">
|
|
<atomArray>S:2 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.841425700E+00, 1.218841000E-02, -1.600024100E-05, 1.030928900E-08,
|
|
-2.644912000E-12, -8.060301500E+03, 1.291807360E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.903752400E+00, 1.236997500E-03, -5.457079000E-07, 1.065984200E-10,
|
|
-7.668824300E-15, -8.775209000E+03, -2.269998360E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species S8 -->
|
|
<species name="S8">
|
|
<atomArray>S:8 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.197004960E+00, 9.155035970E-02, -1.912636110E-04, 1.801771960E-07,
|
|
-6.303936950E-11, 8.120716910E+03, 7.580439170E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.072495210E+01, 1.346861110E-03, -5.372259460E-07, 9.281228530E-11,
|
|
-5.819513400E-15, 5.533443240E+03, -6.748052870E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si -->
|
|
<species name="Si">
|
|
<atomArray>Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.764761500E+00, -7.120709850E-03, 1.573183010E-05, -1.538249690E-08,
|
|
5.531949330E-12, 5.320507820E+04, 3.021687720E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.580611570E+00, -2.060446540E-04, 1.930516770E-07, -4.564851070E-11,
|
|
3.364117160E-15, 5.338299330E+04, 5.606574230E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si+ -->
|
|
<species name="Si+">
|
|
<atomArray>Si:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.244190730E+00, -7.511608630E-03, 1.333683330E-05, -1.094061490E-08,
|
|
3.413572230E-12, 1.484087920E+05, -2.789173340E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.647945790E+00, -1.601090080E-04, 6.540241550E-08, -1.162246550E-11,
|
|
7.559612720E-16, 1.487034130E+05, 4.731718480E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiBr -->
|
|
<species name="SiBr">
|
|
<atomArray>Si:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.971978800E+00, 4.774527900E-03, -1.113068400E-05, 1.068120200E-08,
|
|
-3.672638300E-12, 2.698630400E+04, 6.111957190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.668169200E+00, -1.016941300E-04, 7.083899200E-08, -1.433485600E-11,
|
|
1.407673900E-15, 2.693345900E+04, 3.224972590E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiBr2 -->
|
|
<species name="SiBr2">
|
|
<atomArray>Si:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.671972900E+00, 1.029289700E-02, -1.871401900E-05, 1.563790000E-08,
|
|
-4.945652100E-12, -8.003916300E+03, 7.726655190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.722477000E+00, 3.805792900E-04, -2.013858900E-07, 4.435117200E-11,
|
|
-2.923965100E-15, -8.359298000E+03, -1.819557110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiBr3 -->
|
|
<species name="SiBr3">
|
|
<atomArray>Si:1 Br:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.772960200E+00, 1.837178700E-02, -3.301933200E-05, 2.736786400E-08,
|
|
-8.603878700E-12, -2.655455400E+04, 5.186270290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.585496800E+00, 4.792384600E-04, -2.146059500E-07, 4.233826900E-11,
|
|
-3.067079400E-15, -2.724450600E+04, -1.270130800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiBr4 -->
|
|
<species name="SiBr4">
|
|
<atomArray>Si:1 Br:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.610893700E+00, 2.323938400E-02, -4.154574600E-05, 3.430524100E-08,
|
|
-1.075507600E-11, -5.296820900E+04, -3.099039310E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.245608700E+01, 6.284438400E-04, -2.812895100E-07, 5.547441400E-11,
|
|
-4.017595900E-15, -5.385052100E+04, -2.586090900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiC -->
|
|
<species name="SiC">
|
|
<atomArray>Si:1 C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
-2.192469600E+00, 4.134270000E-02, -7.827411300E-05, 6.069412000E-08,
|
|
-1.672920700E-11, 8.595314300E+04, 2.876924300E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.579903300E+00, -1.340934400E-03, 7.548304700E-07, -1.654377800E-10,
|
|
1.266334500E-14, 8.504612000E+04, -5.650196310E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiC2 -->
|
|
<species name="SiC2">
|
|
<atomArray>Si:1 C:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.880633300E+00, 6.794776700E-03, -5.027796200E-06, 1.057323200E-09,
|
|
2.551314200E-13, 7.255824900E+04, 4.550567190E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.701152300E+00, 2.122069000E-03, -1.145776900E-06, 3.103876800E-10,
|
|
-2.776389700E-14, 7.202339100E+04, -4.973732110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiC4H12 -->
|
|
<species name="SiC4H12">
|
|
<atomArray>H:12 Si:1 C:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.946186260E+00, 4.114297430E-02, -2.932337420E-07, -2.290036940E-08,
|
|
1.095667730E-11, -3.773104920E+04, 3.186310990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.156370180E+01, 3.281120640E-02, -1.263708910E-05, 2.268685110E-09,
|
|
-1.542694770E-13, -4.013813660E+04, -3.363411950E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiCL -->
|
|
<species name="SiCL">
|
|
<atomArray>Si:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.739653300E+00, 3.116471600E-03, -5.247438300E-06, 4.201254300E-09,
|
|
-1.288722200E-12, 2.263826100E+04, 6.567349510E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.398289400E+00, 1.674078700E-04, -5.360624700E-08, 9.573154900E-12,
|
|
-4.453089200E-16, 2.251314500E+04, 3.444958210E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiCL2 -->
|
|
<species name="SiCL2">
|
|
<atomArray>Si:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.710996100E+00, 1.396635200E-02, -2.471105400E-05, 2.025921900E-08,
|
|
-6.319370300E-12, -2.182594900E+04, 9.461581800E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.630788900E+00, 4.385327900E-04, -1.981135100E-07, 3.700587300E-11,
|
|
-2.071439400E-15, -2.236071900E+04, -4.274870200E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiCL3 -->
|
|
<species name="SiCL3">
|
|
<atomArray>Si:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.262702700E+00, 2.405086900E-02, -4.218488200E-05, 3.437393000E-08,
|
|
-1.067446200E-11, -4.898120500E+04, 8.405238550E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.359463100E+00, 7.383483800E-04, -3.299404900E-07, 6.498997300E-11,
|
|
-4.702324100E-15, -4.993006800E+04, -1.564801100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiCL4 -->
|
|
<species name="SiCL4">
|
|
<atomArray>Si:1 Cl:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.104001000E+00, 2.493311400E-02, -3.670326300E-05, 2.444874800E-08,
|
|
-6.037015500E-12, -8.235927300E+04, -9.764004980E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.208965500E+01, 1.019073500E-03, -4.416786500E-07, 8.448157300E-11,
|
|
-5.949158000E-15, -8.359025000E+04, -2.992693360E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiF -->
|
|
<species name="SiF">
|
|
<atomArray>Si:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.245353500E+00, 2.970233100E-03, -2.485799000E-06, 5.630483600E-10,
|
|
1.441603400E-13, -3.494427200E+03, 7.884434690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.122783500E+00, 4.680489100E-04, -1.867767500E-07, 3.524209300E-11,
|
|
-2.301504600E-15, -3.725861900E+03, 3.388586690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiF2 -->
|
|
<species name="SiF2">
|
|
<atomArray>Si:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.514824000E+00, 1.450415700E-02, -2.059477900E-05, 1.413017600E-08,
|
|
-3.813232600E-12, -7.194243300E+04, 1.300463480E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.056210400E+00, 1.072195200E-03, -4.712975800E-07, 9.017476400E-11,
|
|
-6.137090500E-15, -7.272708300E+04, -4.359947570E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiF3 -->
|
|
<species name="SiF3">
|
|
<atomArray>Si:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.348022000E+00, 2.466503300E-02, -3.510935000E-05, 2.423269000E-08,
|
|
-6.590941600E-12, -1.320687200E+05, 1.459018300E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.348819100E+00, 1.877236900E-03, -8.317712500E-07, 1.629071800E-10,
|
|
-1.173853300E-14, -1.333998700E+05, -1.483438900E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiF4 -->
|
|
<species name="SiF4">
|
|
<atomArray>Si:1 F:4 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.189306800E+00, 3.370200700E-02, -4.672317900E-05, 3.158463800E-08,
|
|
-8.450611400E-12, -1.960328900E+05, 1.330047100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.047847300E+01, 2.858675600E-03, -1.264631400E-06, 2.474686300E-10,
|
|
-1.782429600E-14, -1.979055000E+05, -2.750747800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH -->
|
|
<species name="SiH">
|
|
<atomArray>H:1 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.336295400E+00, -5.051242200E-03, 1.142309600E-05, -9.389065200E-09,
|
|
2.771814900E-12, 4.415071400E+04, 1.882146790E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.045319400E+00, 1.558752600E-03, -6.207267700E-07, 1.151827000E-10,
|
|
-7.628977300E-15, 4.433112600E+04, 6.044655450E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH+ -->
|
|
<species name="SiH+">
|
|
<atomArray>H:1 Si:1 E:-1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.729258800E+00, -1.788161100E-03, 4.246925700E-06, -2.558013000E-09,
|
|
4.063374000E-13, 1.369707100E+05, 1.583873140E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.982859500E+00, 1.545522200E-03, -5.903855500E-07, 1.051740000E-10,
|
|
-6.822023400E-15, 1.370795400E+05, 5.040350140E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiHBr3 -->
|
|
<species name="SiHBr3">
|
|
<atomArray>H:1 Si:1 Br:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.337011000E+00, 2.887299000E-02, -4.695412000E-05, 3.752303800E-08,
|
|
-1.163491900E-11, -3.866383400E+04, 1.032167120E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.027483100E+01, 2.866610400E-03, -1.211258100E-06, 2.300491600E-10,
|
|
-1.623350400E-14, -3.984657600E+04, -1.803406580E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiHCL3 -->
|
|
<species name="SiHCL3">
|
|
<atomArray>H:1 Si:1 Cl:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.674204200E+00, 3.438038500E-02, -5.495385600E-05, 4.310333200E-08,
|
|
-1.315701200E-11, -6.160172300E+04, 1.433350950E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.933563500E+00, 3.248122000E-03, -1.378717100E-06, 2.626607300E-10,
|
|
-1.857488600E-14, -6.307084900E+04, -2.047205850E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiHF3 -->
|
|
<species name="SiHF3">
|
|
<atomArray>H:1 Si:1 F:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.065481600E-01, 3.326526700E-02, -4.392882500E-05, 2.932836700E-08,
|
|
-7.864918800E-12, -1.458419600E+05, 1.997326570E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.754882800E+00, 4.552775600E-03, -1.947753100E-06, 3.730079400E-10,
|
|
-2.647397300E-14, -1.476565800E+05, -1.882697730E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiHI3 -->
|
|
<species name="SiHI3">
|
|
<atomArray>I:3 H:1 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.521122500E+00, 2.484105400E-02, -4.083398400E-05, 3.306839300E-08,
|
|
-1.037377400E-11, -1.140718900E+04, 7.784669510E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.053360400E+01, 2.588800000E-03, -1.092190300E-06, 2.072068700E-10,
|
|
-1.460985400E-14, -1.239734500E+04, -1.609503420E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH2 -->
|
|
<species name="SiH2">
|
|
<atomArray>H:2 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.310785300E+00, -1.446994500E-02, 5.142714600E-05, -5.473347400E-08,
|
|
1.928828600E-11, 2.821339400E+04, -2.822418620E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.859385500E+00, 1.638256500E-03, -8.439625200E-07, 1.832333000E-10,
|
|
-1.411436500E-14, 2.716569900E+04, -1.006463100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH2Br2 -->
|
|
<species name="SiH2Br2">
|
|
<atomArray>H:2 Si:1 Br:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.000742700E+00, 3.028263100E-02, -4.468733600E-05, 3.441143100E-08,
|
|
-1.054872000E-11, -2.450750700E+04, 1.856673660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.169260100E+00, 5.028560100E-03, -2.109756400E-06, 3.987215500E-10,
|
|
-2.803583800E-14, -2.584247500E+04, -1.137119140E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH2CL2 -->
|
|
<species name="SiH2CL2">
|
|
<atomArray>H:2 Si:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.026493800E+00, 3.301358900E-02, -4.796106200E-05, 3.622567600E-08,
|
|
-1.092044700E-11, -3.996338700E+04, 2.062885730E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.912140400E+00, 5.312789100E-03, -2.233672900E-06, 4.227481200E-10,
|
|
-2.975568400E-14, -4.146850300E+04, -1.288676270E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH2F2 -->
|
|
<species name="SiH2F2">
|
|
<atomArray>H:2 Si:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.937599800E-01, 3.007988000E-02, -3.587413600E-05, 2.266855800E-08,
|
|
-5.918592500E-12, -9.623032700E+04, 2.286075360E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.098185700E+00, 6.214649000E-03, -2.627235200E-06, 4.990908500E-10,
|
|
-3.522164100E-14, -9.791874500E+04, -1.167256940E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH2I2 -->
|
|
<species name="SiH2I2">
|
|
<atomArray>I:2 H:2 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.656281300E+00, 2.862617600E-02, -4.300370000E-05, 3.370803100E-08,
|
|
-1.047554700E-11, -6.325261200E+03, 1.727092510E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
8.357309900E+00, 4.816358600E-03, -2.016144500E-06, 3.804369900E-10,
|
|
-2.672058400E-14, -7.541766700E+03, -1.029735490E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH3 -->
|
|
<species name="SiH3">
|
|
<atomArray>H:3 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.050680700E+00, 3.310328300E-03, 1.109399700E-05, -1.448349000E-08,
|
|
5.188035400E-12, 2.405142400E+04, 7.294820680E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.127037600E+00, 6.183886600E-03, -2.612209600E-06, 4.957969500E-10,
|
|
-3.496052000E-14, 2.340680100E+04, 1.518084230E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH3Br -->
|
|
<species name="SiH3Br">
|
|
<atomArray>H:3 Si:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.006033500E+00, 2.530787600E-02, -3.039643300E-05, 2.108215000E-08,
|
|
-6.205539800E-12, -1.060536000E+04, 1.946754460E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.135036300E+00, 7.111291400E-03, -2.973507500E-06, 5.606185700E-10,
|
|
-3.935084700E-14, -1.187990000E+04, -6.178265690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH3CL -->
|
|
<species name="SiH3CL">
|
|
<atomArray>H:3 Si:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.830798500E-01, 2.616172800E-02, -3.085407300E-05, 2.087839500E-08,
|
|
-6.015367800E-12, -1.816197900E+04, 2.023653790E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.991971800E+00, 7.271893800E-03, -3.044159000E-06, 5.743962000E-10,
|
|
-4.034092900E-14, -1.951493000E+04, -6.867643670E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH3F -->
|
|
<species name="SiH3F">
|
|
<atomArray>H:3 Si:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.736972600E-01, 2.337103600E-02, -2.192597300E-05, 1.143866800E-08,
|
|
-2.621759800E-12, -4.626867600E+04, 2.045412980E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.573611900E+00, 7.741007500E-03, -3.250275800E-06, 6.145479200E-10,
|
|
-4.322377400E-14, -4.768848600E+04, -6.210022920E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH3I -->
|
|
<species name="SiH3I">
|
|
<atomArray>I:1 H:3 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.365932000E+00, 2.459257500E-02, -2.999179500E-05, 2.121514300E-08,
|
|
-6.348297100E-12, -1.525835500E+03, 1.864039790E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.268666300E+00, 6.965230500E-03, -2.910274000E-06, 5.484146700E-10,
|
|
-3.848008800E-14, -2.737352700E+03, -5.828451560E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiH4 -->
|
|
<species name="SiH4">
|
|
<atomArray>H:4 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.592263900E+00, 1.284109300E-02, -1.945627800E-06, -4.310637200E-09,
|
|
1.987488000E-12, 3.105594200E+03, 1.183360250E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.209203800E+00, 9.082262800E-03, -3.790539600E-06, 7.136988800E-10,
|
|
-5.004628600E-14, 2.134462700E+03, -2.727687040E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiI -->
|
|
<species name="SiI">
|
|
<atomArray>I:1 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.804471200E+00, 1.220530600E-02, -2.587699700E-05, 2.317096600E-08,
|
|
-7.579847200E-12, 3.652948800E+04, 1.187530770E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.974953200E+00, -4.080192100E-04, 1.919967400E-07, -3.888655300E-11,
|
|
3.855242200E-15, 3.626172700E+04, 2.301669200E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiI2 -->
|
|
<species name="SiI2">
|
|
<atomArray>I:2 Si:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.321551050E+00, 1.442733800E-02, -3.105176470E-05, 2.983192860E-08,
|
|
-1.057854730E-11, 9.412182020E+03, 1.081785670E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.743118550E+00, 3.619831560E-04, -1.952786440E-07, 4.358232010E-11,
|
|
-2.899867920E-15, 9.069753640E+03, 1.290972130E-02</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiN -->
|
|
<species name="SiN">
|
|
<atomArray>Si:1 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.105195500E+00, 1.485244900E-03, 1.856106000E-06, -3.773488300E-09,
|
|
1.683533100E-12, 4.378570900E+04, 7.888560520E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.985862100E+00, -8.792705600E-06, 5.426953900E-07, -1.795101700E-10,
|
|
1.633706900E-14, 4.352480900E+04, 3.174680020E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiO -->
|
|
<species name="SiO">
|
|
<atomArray>Si:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.252827600E+00, 4.182312600E-04, 3.780620200E-06, -5.102448300E-09,
|
|
1.947131700E-12, -1.309034000E+04, 6.661743290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.747883500E+00, 8.199194300E-04, -3.252539600E-07, 5.732496200E-11,
|
|
-3.510894400E-15, -1.331743000E+04, 3.661003390E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiO2 -->
|
|
<species name="SiO2">
|
|
<atomArray>Si:1 O:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.262805800E+00, 8.501658400E-03, -5.738814400E-06, 1.289657300E-11,
|
|
9.754497600E-13, -3.803597100E+04, 6.668075290E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.862039500E+00, 1.771978400E-03, -7.519419400E-07, 1.418058400E-10,
|
|
-9.885641700E-15, -3.876781600E+04, -6.847187110E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SiS -->
|
|
<species name="SiS">
|
|
<atomArray>Si:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.843069300E+00, 5.115028100E-03, -6.331607300E-06, 3.438732600E-09,
|
|
-6.262338500E-13, 1.171893100E+04, 9.446191920E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.173577200E+00, 3.928259500E-04, -1.500517200E-07, 2.324255700E-11,
|
|
-6.056886700E-16, 1.141775300E+04, 2.868882320E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si2 -->
|
|
<species name="Si2">
|
|
<atomArray>Si:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.815539300E+00, -1.909654200E-04, 5.923341600E-06, -5.764960300E-09,
|
|
1.477500400E-12, 6.978465500E+04, 5.740718590E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.047413900E+00, 5.399003400E-04, -4.307837600E-07, 1.135520600E-10,
|
|
-9.626287100E-15, 6.913318500E+04, -1.910294810E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si2C -->
|
|
<species name="Si2C">
|
|
<atomArray>Si:2 C:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.043893800E+00, 7.345695700E-03, -6.641254900E-06, 2.488504700E-09,
|
|
-1.819655500E-13, 6.293541700E+04, 4.184412090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.251098800E+00, 1.322417600E-03, -7.280521400E-07, 2.326942400E-10,
|
|
-2.328514800E-14, 6.230099900E+04, -7.283478510E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si2N -->
|
|
<species name="Si2N">
|
|
<atomArray>Si:2 N:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.668673500E+00, 1.130184000E-02, -1.363711900E-05, 7.168805000E-09,
|
|
-1.237831000E-12, 4.631808300E+04, 7.122709640E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.670991200E+00, 9.191788200E-04, -3.951713000E-07, 7.439714500E-11,
|
|
-5.028469100E-15, 4.562015400E+04, -7.798277660E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Si3 -->
|
|
<species name="Si3">
|
|
<atomArray>Si:3 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08,
|
|
-2.783287500E-12, 7.476632400E+04, 3.455330090E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12,
|
|
-2.567083700E-15, 7.414669900E+04, -1.035211100E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Sr -->
|
|
<species name="Sr">
|
|
<atomArray>Sr:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
|
|
0.000000000E+00, 1.897917880E+04, 5.557820920E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.052399820E+00, 1.195164490E-03, -1.074533950E-06, 3.575309760E-10,
|
|
-3.056132800E-14, 1.910410430E+04, 7.880299280E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrBr -->
|
|
<species name="SrBr">
|
|
<atomArray>Sr:1 Br:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.097007100E+00, 1.932106000E-03, -3.506889200E-06, 2.996619400E-09,
|
|
-9.633169600E-13, -1.200064400E+04, 7.934384990E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.343615800E+00, 3.989594300E-04, -2.597612600E-07, 7.932074700E-11,
|
|
-6.608383000E-15, -1.202507300E+04, 6.873710790E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrCL -->
|
|
<species name="SrCL">
|
|
<atomArray>Sr:1 Cl:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.903618500E+00, 2.463442800E-03, -3.877696500E-06, 2.830337500E-09,
|
|
-7.730412000E-13, -1.613974000E+04, 7.516646830E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.334441800E+00, 3.895211200E-04, -2.446131200E-07, 7.328436500E-11,
|
|
-5.973332500E-15, -1.620878100E+04, 5.525255930E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrCL2 -->
|
|
<species name="SrCL2">
|
|
<atomArray>Sr:1 Cl:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.890714100E+00, 4.494278900E-03, -7.298940400E-06, 5.358813500E-09,
|
|
-1.473063100E-12, -5.881640400E+04, 3.425250710E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.896436200E+00, 1.178871800E-04, -5.185408000E-08, 1.004883100E-11,
|
|
-7.158434800E-16, -5.900690400E+04, -1.354348390E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrF -->
|
|
<species name="SrF">
|
|
<atomArray>Sr:1 F:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.271394700E+00, 4.621335400E-03, -6.900775000E-06, 4.723358200E-09,
|
|
-1.204680700E-12, -3.655563000E+04, 9.107020690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.245716400E+00, 4.663358700E-04, -2.692589600E-07, 7.356008000E-11,
|
|
-5.721376000E-15, -3.674029900E+04, 4.466078690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrF+ -->
|
|
<species name="SrF+">
|
|
<atomArray>Sr:1 E:-1 F:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.109379100E+00, 5.027003500E-03, -7.268933800E-06, 4.794850100E-09,
|
|
-1.168384700E-12, 2.260720200E+04, 9.074110380E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.613551800E+00, -2.181091700E-03, 1.221524800E-06, -1.633297100E-10,
|
|
3.258450900E-15, 2.188214000E+04, -3.901420320E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrF2 -->
|
|
<species name="SrF2">
|
|
<atomArray>Sr:1 F:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.813551600E+00, 8.382160200E-03, -1.299953100E-05, 9.135439200E-09,
|
|
-2.398987700E-12, -9.385054300E+04, 5.664080210E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.754789100E+00, 2.776196400E-04, -1.215887800E-07, 2.347878000E-11,
|
|
-1.667519200E-15, -9.423363200E+04, -3.641953890E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrI2 -->
|
|
<species name="SrI2">
|
|
<atomArray>I:2 Sr:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.045040700E+00, 1.884169900E-03, -3.117514900E-06, 2.329939100E-09,
|
|
-6.523213300E-13, -3.522301300E+04, 2.578217830E-01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.460367800E+00, 4.540347600E-05, -2.009327400E-08, 3.915550600E-12,
|
|
-2.803098000E-16, -3.530033300E+04, -1.708769270E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrO -->
|
|
<species name="SrO">
|
|
<atomArray>Sr:1 O:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.732999700E+00, 6.739941800E-03, -1.080048500E-05, 8.176793700E-09,
|
|
-2.361987100E-12, -2.644357400E+03, 1.050129000E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.640302400E+00, -1.128515000E-02, 7.884232200E-06, -1.903587700E-09,
|
|
1.514654700E-13, -4.749948700E+03, -2.579817000E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrOH -->
|
|
<species name="SrOH">
|
|
<atomArray>Sr:1 O:1 H:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.527649400E+00, 1.736485400E-02, -3.173572300E-05, 2.690964600E-08,
|
|
-8.527009900E-12, -2.601267800E+04, 1.126032660E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.357084000E+00, 1.735073500E-03, -6.833964700E-07, 1.410706800E-10,
|
|
-1.041503900E-14, -2.638917300E+04, -1.387387540E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrOH+ -->
|
|
<species name="SrOH+">
|
|
<atomArray>Sr:1 E:-1 O:1 H:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.610180700E+00, 1.706767700E-02, -3.127555600E-05, 2.657085400E-08,
|
|
-8.430139500E-12, 3.727522900E+04, 1.020408670E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.495198100E+00, 1.421406600E-03, -4.324501900E-07, 6.234242900E-11,
|
|
-3.479748400E-15, 3.687410700E+04, -2.770683580E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrO2H2 -->
|
|
<species name="SrO2H2">
|
|
<atomArray>Sr:1 O:2 H:2 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.365885000E+00, 3.370994000E-02, -6.202817100E-05, 5.284326900E-08,
|
|
-1.679604600E-11, -7.370936800E+04, 9.785596880E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.023267400E+00, 2.804910200E-03, -8.479100700E-07, 1.213249300E-10,
|
|
-6.715418300E-15, -7.448503500E+04, -1.560266800E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species SrS -->
|
|
<species name="SrS">
|
|
<atomArray>Sr:1 S:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.486331800E+00, 4.384131100E-03, -7.506755300E-06, 5.819281800E-09,
|
|
-1.635320400E-12, 1.183485400E+04, 8.352630690E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
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8.983470000E+00, -1.099569100E-02, 8.658841700E-06, -2.295548200E-09,
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1.965968300E-13, 1.030141900E+04, -2.007626680E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species Ta -->
|
|
<species name="Ta">
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|
<atomArray>Ta:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.838163100E+00, -2.787856300E-03, 6.897333400E-06, -4.557175100E-09,
|
|
9.412526800E-13, 9.327879300E+04, 6.668936790E+00</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
|
|
1.510909400E+00, 2.702950100E-03, -1.070559400E-06, 2.023885300E-10,
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|
-1.397017300E-14, 9.351776200E+04, 1.298270600E+01</floatArray>
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|
</NASA>
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|
</thermo>
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|
</species>
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|
|
|
<!-- species TaO -->
|
|
<species name="TaO">
|
|
<atomArray>O:1 Ta:1 </atomArray>
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|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.934010800E+00, 3.059203800E-03, -1.939636400E-06, 1.628883000E-10,
|
|
3.015253500E-13, 2.215447200E+04, 1.145464600E+01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.499660300E+00, 1.511253500E-03, -6.538457800E-07, 1.778431400E-10,
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|
-1.691940500E-14, 2.199415100E+04, 8.526958990E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TaO2 -->
|
|
<species name="TaO2">
|
|
<atomArray>O:2 Ta:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.180382600E+00, 9.470280500E-03, -8.734686800E-06, 2.452268900E-09,
|
|
3.365342100E-13, -2.545176200E+04, 1.313035300E+01</floatArray>
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|
</NASA>
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|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.970166900E+00, 1.179212800E-03, -5.651741300E-07, 1.311378700E-10,
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|
-1.056443700E-14, -2.616948100E+04, -1.073998010E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ti -->
|
|
<species name="Ti">
|
|
<atomArray>Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.144481190E+00, -6.804690090E-03, 1.188677650E-05, -9.752234620E-09,
|
|
3.090644230E-12, 5.594383520E+04, -3.481878220E-01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.037743140E+00, -1.111171440E-03, 7.585710900E-07, -1.270737730E-10,
|
|
6.908192790E-15, 5.612367280E+04, 4.730018880E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ti+ -->
|
|
<species name="Ti+">
|
|
<atomArray>E:-1 Ti:1 </atomArray>
|
|
<charge>1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.795111280E+00, 2.522311760E-03, -5.631214010E-06, 4.163711690E-09,
|
|
-1.014433220E-12, 1.359959990E+05, 5.619515800E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.673716390E+00, -1.485595250E-03, 7.822667350E-07, -1.438532270E-10,
|
|
8.952843940E-15, 1.358557350E+05, 1.531501800E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Ti- -->
|
|
<species name="Ti-">
|
|
<atomArray>E:1 Ti:1 </atomArray>
|
|
<charge>-1</charge>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="298.14999999999998" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.589586330E+00, -4.914444200E-03, 9.064832200E-06, -7.662284030E-09,
|
|
2.447241570E-12, 5.438697870E+04, 2.769156480E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.585260860E+00, -9.084194790E-05, 3.643232750E-08, -6.316400980E-12,
|
|
3.970350410E-16, 5.456434670E+04, 7.457110660E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiCL -->
|
|
<species name="TiCL">
|
|
<atomArray>Cl:1 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.854308900E+00, 7.959334500E-03, -9.821116200E-06, 5.241998100E-09,
|
|
-9.798617700E-13, 1.744121600E+04, 1.173022460E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.296976000E+00, -1.640169200E-04, 1.571976100E-07, -3.856708900E-11,
|
|
3.073966300E-15, 1.685767400E+04, -4.944726710E-01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiCL2 -->
|
|
<species name="TiCL2">
|
|
<atomArray>Cl:2 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.972347500E+00, 1.127733500E-02, -2.058191600E-05, 1.718665000E-08,
|
|
-5.404959000E-12, -3.036628500E+04, 2.559096380E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.762485200E+00, -9.387242500E-04, 8.012151800E-07, -1.904803000E-10,
|
|
1.496154500E-14, -3.091580500E+04, -1.075260110E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiCL3 -->
|
|
<species name="TiCL3">
|
|
<atomArray>Cl:3 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.880155700E+00, 3.355893300E-02, -5.995746000E-05, 4.886366400E-08,
|
|
-1.509099200E-11, -6.677602300E+04, 1.395820880E+01</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.000810300E+01, 4.193637400E-04, -2.150487300E-07, 4.533701800E-11,
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|
-3.454683800E-15, -6.806125000E+04, -1.951065320E+01</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiCL4 -->
|
|
<species name="TiCL4">
|
|
<atomArray>Cl:4 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
6.949675700E+00, 2.604965900E-02, -4.652030200E-05, 3.838483400E-08,
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|
-1.202791500E-11, -9.467783100E+04, -2.925750940E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.238603000E+01, 7.093131600E-04, -3.174607800E-07, 6.260395800E-11,
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|
-4.533703800E-15, -9.566907800E+04, -2.847159560E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiO -->
|
|
<species name="TiO">
|
|
<atomArray>O:1 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.119888100E+00, 3.120248700E-03, -1.329707300E-06, -1.333836200E-09,
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|
9.631582800E-13, 5.486871900E+03, 9.442612030E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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|
<floatArray name="coeffs" size="7">
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|
4.136017600E+00, 7.392645800E-04, -4.544446400E-07, 1.304365800E-10,
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|
-1.152255700E-14, 5.198348300E+03, 4.122370430E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiOCL -->
|
|
<species name="TiOCL">
|
|
<atomArray>Cl:1 O:1 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.409385600E+00, 1.517055400E-02, -2.442848300E-05, 1.873452100E-08,
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|
-5.568068400E-12, -3.088784600E+04, 8.694426170E+00</floatArray>
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</NASA>
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<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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|
6.831992400E+00, 7.635938700E-04, -3.395308900E-07, 6.666706900E-11,
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|
-4.813294600E-15, -3.158231100E+04, -7.753816130E+00</floatArray>
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|
</NASA>
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|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiOCL2 -->
|
|
<species name="TiOCL2">
|
|
<atomArray>Cl:2 O:1 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.440814000E+00, 1.770504900E-02, -2.952524100E-05, 2.324732800E-08,
|
|
-7.047977700E-12, -6.780685400E+04, 3.450773250E+00</floatArray>
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|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
9.336865500E+00, 7.596998700E-04, -3.382737800E-07, 6.648386300E-11,
|
|
-4.803379300E-15, -6.857264500E+04, -1.514417720E+01</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species TiO2 -->
|
|
<species name="TiO2">
|
|
<atomArray>O:2 Ti:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.014271700E+00, 1.094210100E-02, -1.287858800E-05, 7.118952900E-09,
|
|
-1.492751000E-12, -3.802050100E+04, 1.136439750E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.845506100E+00, 1.393821300E-03, -6.640306200E-07, 1.385738000E-10,
|
|
-9.884218400E-15, -3.870059300E+04, -2.795999030E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species V -->
|
|
<species name="V">
|
|
<atomArray>V:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.517369300E+00, -7.929066000E-03, 1.338083900E-05, -8.828290100E-09,
|
|
1.894530700E-12, 6.090141700E+04, -1.969717910E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.917785200E+00, 4.623689000E-04, -4.973203000E-07, 1.677523300E-10,
|
|
-1.520255200E-14, 6.106427300E+04, 5.106214690E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species VCL4 -->
|
|
<species name="VCL4">
|
|
<atomArray>Cl:4 V:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
7.116646200E+00, 2.542321700E-02, -4.549901700E-05, 3.758388600E-08,
|
|
-1.178034400E-11, -6.612389300E+04, -2.330954750E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
1.271864700E+01, 1.660017600E-05, 1.416149800E-07, -3.476183300E-11,
|
|
2.288976300E-15, -6.718799200E+04, -2.884801030E+01</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species VN -->
|
|
<species name="VN">
|
|
<atomArray>N:1 V:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.723359000E+00, 4.164298900E-03, -2.191281200E-06, -1.235187200E-09,
|
|
1.079183300E-12, 6.192789300E+04, 1.141735790E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
4.185228000E+00, 6.151472000E-04, -3.577633500E-07, 1.074886200E-10,
|
|
-9.727550500E-15, 6.151154000E+04, 3.776186610E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species VO -->
|
|
<species name="VO">
|
|
<atomArray>O:1 V:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.943844100E+00, 2.905923400E-03, -9.951657500E-07, -1.408659200E-09,
|
|
9.243850800E-13, 1.435274600E+04, 1.018643100E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.911470200E+00, 7.754779200E-04, -4.226378600E-07, 1.160883800E-10,
|
|
-1.007072400E-14, 1.406520400E+04, 5.071854090E+00</floatArray>
|
|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species VO2 -->
|
|
<species name="VO2">
|
|
<atomArray>O:2 V:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="300.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
3.193785900E+00, 9.297945700E-03, -8.342246900E-06, 2.104917000E-09,
|
|
4.458264500E-13, -2.927549100E+04, 1.128721900E+01</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="5000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
5.947014700E+00, 1.168677900E-03, -5.053637900E-07, 9.672361100E-11,
|
|
-6.824588300E-15, -2.998380200E+04, -2.738025110E+00</floatArray>
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|
</NASA>
|
|
</thermo>
|
|
</species>
|
|
|
|
<!-- species Xe -->
|
|
<species name="Xe">
|
|
<atomArray>Xe:1 </atomArray>
|
|
<thermo>
|
|
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500000000E+00, -8.991413300E-14, 2.521968600E-16, -2.921866620E-19,
|
|
1.189492180E-22, -7.453750000E+02, 6.164419930E+00</floatArray>
|
|
</NASA>
|
|
<NASA Tmax="6000.0" Tmin="1000.0" P0="100000.0">
|
|
<floatArray name="coeffs" size="7">
|
|
2.500053220E+00, -1.051365440E-07, 6.753268970E-11, -1.709449090E-14,
|
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1.476810490E-18, -7.453941860E+02, 6.164128980E+00</floatArray>
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2.500074770E+00, -6.256141860E-07, 1.864309630E-09, -2.355994570E-12,
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2.500000000E+00, -4.893831870E-12, 1.380121010E-14, -1.586796780E-17,
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1.236559290E+00, 1.282808200E-02, -2.721384320E-05, 2.332373410E-08,
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2.542942060E+00, 6.228897070E-04, -1.074326360E-07, 2.387445160E-11,
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3.071887170E+00, 2.643004740E-03, 3.184994280E-07, -3.633505810E-09,
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<species name="ZrO">
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4.122915760E+00, -1.318861530E-02, 6.929224200E-05, -9.587193130E-08,
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1.017588760E-14, 7.681803770E+03, -1.421925510E+01</floatArray>
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<species name="ZrO2">
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3.210377900E+00, 1.162897600E-02, -1.557536000E-05, 1.004424300E-08,
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6.141854500E+00, 9.770369500E-04, -4.333718200E-07, 8.495458900E-11,
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