research/cantera
1
0
Fork 0
Code Issues Pull requests Projects Releases Packages Wiki Activity Actions

Updated xml files

Browse source
This commit is contained in:
Harry Moffat 2003-08-06 18:30:27 +00:00
parent a59d1a233b
commit 7f16539c86
2 changed files with 4792 additions and 3539 deletions
Show stats Download patch file Download diff file Expand all files Collapse all files

7625
test_problems/cxx_ex/gri30.xml
View file

File diff suppressed because it is too large Load diff

706
test_problems/cxx_ex/silane.xml
View file

@ -1,480 +1,496 @@
<?xml version="1.0"?>
<ctml> <ctml>
<!-- generated from silane.inp by ck2ctml. --> <!-- phase silane -->
<phase id="silane"> <phase dim="3" id="silane">
<state>
<temperature units="K">300</temperature>
<pressure units="atm">1</pressure>
<moleFractions>H2:1.0</moleFractions>
</state>
<thermo model="IdealGas"/>
<elementArray datasrc="elements.xml"> Si H He </elementArray> <elementArray datasrc="elements.xml"> Si H He </elementArray>
<speciesArray datasrc="#silane_species_data"> <speciesArray datasrc="#species_data">
H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6 H2 H HE SIH4 SI SIH SIH2 SIH3 H3SISIH SI2H6
H2SISIH2 SI3H8 SI2 SI3 H2SISIH2 SI3H8 SI2 SI3 </speciesArray>
</speciesArray> <reactionArray datasrc="#reaction_data"/>
<reactionArray datasrc="#silane_rxn_data"> <thermo model="IdealGas"/>
<include max="14" min="1" prefix="silane_rxn_"/>
</reactionArray>
<kinetics model="GasKinetics"/> <kinetics model="GasKinetics"/>
<transport model="None"/>
</phase> </phase>
<!-- species data --> <!-- species definitions -->
<speciesData id="silane_species_data"> <speciesData id="species_data">
<!-- H2 --> <!-- species H2 -->
<species id="silane_s_H2" name="H2"> <species name="H2">
<note>TPIS78</note> <atomArray>H:2 </atomArray>
<atomArray> H:2 </atomArray>
<thermo> <thermo>
<NASA Tmax="3500" Tmid="1000" Tmin="200"> <NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
2.015720940E-08, -7.376117610E-12, -9.179351730E+02, -7.376117610E-12, -9.179351730E+02, 6.830102380E-01,</floatArray>
6.830102380E-01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
3.337279200E+00, -4.940247310E-05, 4.994567780E-07, 3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
-1.795663940E-10, 2.002553760E-14, -9.501589220E+02, 2.002553760E-14, -9.501589220E+02, -3.205023310E+00,</floatArray>
-3.205023310E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- H --> <!-- species H -->
<species id="silane_s_H" name="H"> <species name="H">
<note>L 7/88</note> <atomArray>H:1 </atomArray>
<atomArray> H:1 </atomArray>
<thermo> <thermo>
<NASA Tmax="3500" Tmid="1000" Tmin="200"> <NASA P0="100000.0" Tmax="1000.0" Tmin="200.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.500000000E+00, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
2.300816320E-18, -9.277323320E-22, 2.547365990E+04, -9.277323320E-22, 2.547365990E+04, -4.466828530E-01,</floatArray>
-4.466828530E-01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="3500.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
2.500000010E+00, -2.308429730E-11, 1.615619480E-14, 2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
-4.735152350E-18, 4.981973570E-22, 2.547365990E+04, 4.981973570E-22, 2.547365990E+04, -4.466829140E-01,</floatArray>
-4.466829140E-01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- HE --> <!-- species HE -->
<species id="silane_s_HE" name="HE"> <species name="HE">
<note>120186</note> <atomArray>He:1 </atomArray>
<atomArray> He:1 </atomArray>
<thermo> <thermo>
<NASA Tmax="5000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 0.000000000E+00, -7.453750000E+02, 9.153488000E-01,</floatArray>
9.153488000E-01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="5000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00, 0.000000000E+00, 0.000000000E+00,
0.000000000E+00, 0.000000000E+00, -7.453750000E+02, 0.000000000E+00, -7.453750000E+02, 9.153489000E-01,</floatArray>
9.153489000E-01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SIH4 --> <!-- species SIH4 -->
<species id="silane_s_SIH4" name="SIH4"> <species name="SIH4">
<note>90784</note> <atomArray>H:4 Si:1 </atomArray>
<atomArray> Si:1 H:4 </atomArray>
<thermo> <thermo>
<NASA Tmax="2000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
1.451640400E+00, 1.398736300E-02, -4.234563900E-06, 1.451640400E+00, 1.398736300E-02, -4.234563900E-06, -2.360614200E-09,
-2.360614200E-09, 1.371208900E-12, 3.113410500E+03, 1.371208900E-12, 3.113410500E+03, 1.232185500E+01,</floatArray>
1.232185500E+01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="2000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
7.935938000E-01, 1.767189900E-02, -1.139800900E-05, 7.935938000E-01, 1.767189900E-02, -1.139800900E-05, 3.599260400E-09,
3.599260400E-09, -4.524157100E-13, 3.198212700E+03, -4.524157100E-13, 3.198212700E+03, 1.524225700E+01,</floatArray>
1.524225700E+01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SI --> <!-- species SI -->
<species id="silane_s_SI" name="SI"> <species name="SI">
<note>J 3/67</note> <atomArray>Si:1 </atomArray>
<atomArray> Si:1 </atomArray>
<thermo> <thermo>
<NASA Tmax="5000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
3.179353700E+00, -2.764699200E-03, 4.478403800E-06, 3.179353700E+00, -2.764699200E-03, 4.478403800E-06, -3.283317700E-09,
-3.283317700E-09, 9.121363100E-13, 5.333903200E+04, 9.121363100E-13, 5.333903200E+04, 2.727320400E+00,</floatArray>
2.727320400E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="5000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
2.650601400E+00, -3.576385200E-04, 2.959229300E-07, 2.650601400E+00, -3.576385200E-04, 2.959229300E-07, -7.280482900E-11,
-7.280482900E-11, 5.796332900E-15, 5.343705400E+04, 5.796332900E-15, 5.343705400E+04, 5.220405700E+00,</floatArray>
5.220405700E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SIH --> <!-- species SIH -->
<species id="silane_s_SIH" name="SIH"> <species name="SIH">
<note>121986</note> <atomArray>H:1 Si:1 </atomArray>
<atomArray> Si:1 H:1 </atomArray>
<thermo> <thermo>
<NASA Tmax="2000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
3.836010000E+00, -2.702657000E-03, 6.849070000E-06, 3.836010000E+00, -2.702657000E-03, 6.849070000E-06, -5.424184000E-09,
-5.424184000E-09, 1.472131000E-12, 4.507593000E+04, 1.472131000E-12, 4.507593000E+04, 9.350778000E-01,</floatArray>
9.350778000E-01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="2000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
3.110430000E+00, 1.094946000E-03, 2.898629000E-08, 3.110430000E+00, 1.094946000E-03, 2.898629000E-08, -2.745104000E-10,
-2.745104000E-10, 7.051799000E-14, 4.516898000E+04, 7.051799000E-14, 4.516898000E+04, 4.193487000E+00,</floatArray>
4.193487000E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SIH2 --> <!-- species SIH2 -->
<species id="silane_s_SIH2" name="SIH2"> <species name="SIH2">
<note>42489</note> <atomArray>H:2 Si:1 </atomArray>
<atomArray> Si:1 H:2 </atomArray>
<thermo> <thermo>
<NASA Tmax="3000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
3.475092000E+00, 2.139338000E-03, 7.672306000E-07, 3.475092000E+00, 2.139338000E-03, 7.672306000E-07, 5.217668000E-10,
5.217668000E-10, -9.898824000E-13, 3.147397000E+04, -9.898824000E-13, 3.147397000E+04, 4.436585000E+00,</floatArray>
4.436585000E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="3000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
4.142390000E+00, 2.150191000E-03, -2.190730000E-07, 4.142390000E+00, 2.150191000E-03, -2.190730000E-07, -2.073725000E-10,
-2.073725000E-10, 4.741018000E-14, 3.110484000E+04, 4.741018000E-14, 3.110484000E+04, 2.930745000E-01,</floatArray>
2.930745000E-01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SIH3 --> <!-- species SIH3 -->
<species id="silane_s_SIH3" name="SIH3"> <species name="SIH3">
<note>42489</note> <atomArray>H:3 Si:1 </atomArray>
<atomArray> Si:1 H:3 </atomArray>
<thermo> <thermo>
<NASA Tmax="3000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
2.946733000E+00, 6.466764000E-03, 5.991653000E-07, 2.946733000E+00, 6.466764000E-03, 5.991653000E-07, -2.218413000E-09,
-2.218413000E-09, 3.052670000E-13, 2.270173000E+04, 3.052670000E-13, 2.270173000E+04, 7.347948000E+00,</floatArray>
7.347948000E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="3000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
5.015906000E+00, 3.732750000E-03, -3.609053000E-07, 5.015906000E+00, 3.732750000E-03, -3.609053000E-07, -3.729193000E-10,
-3.729193000E-10, 8.468490000E-14, 2.190233000E+04, 8.468490000E-14, 2.190233000E+04, -4.291368000E+00,</floatArray>
-4.291368000E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- H3SISIH --> <!-- species H3SISIH -->
<species id="silane_s_H3SISIH" name="H3SISIH"> <species name="H3SISIH">
<note>111191</note> <atomArray>H:4 Si:2 </atomArray>
<atomArray> H:4 Si:2 </atomArray>
<thermo> <thermo>
<NASA Tmax="4000" Tmid="1500" Tmin="300"> <NASA P0="100000.0" Tmax="1500.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
3.698707000E+00, 1.870180000E-02, -1.430704000E-05, 3.698707000E+00, 1.870180000E-02, -1.430704000E-05, 6.005836000E-09,
6.005836000E-09, -1.116293000E-12, 3.590825000E+04, -1.116293000E-12, 3.590825000E+04, 8.825191000E+00,</floatArray>
8.825191000E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="4000.0" Tmin="1500.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
1.127202000E+01, 2.538145000E-03, -2.998472000E-07, 1.127202000E+01, 2.538145000E-03, -2.998472000E-07, -9.465367000E-11,
-9.465367000E-11, 1.855053000E-14, 3.297169000E+04, 1.855053000E-14, 3.297169000E+04, -3.264598000E+01,</floatArray>
-3.264598000E+01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SI2H6 --> <!-- species SI2H6 -->
<species id="silane_s_SI2H6" name="SI2H6"> <species name="SI2H6">
<note>90784</note> <atomArray>H:6 Si:2 </atomArray>
<atomArray> Si:2 H:6 </atomArray>
<thermo> <thermo>
<NASA Tmax="2000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
6.734798300E-01, 4.093153100E-02, -4.484125500E-05, 6.734798300E-01, 4.093153100E-02, -4.484125500E-05, 2.995223200E-08,
2.995223200E-08, -8.901085400E-12, 7.932787500E+03, -8.901085400E-12, 7.932787500E+03, 1.862740300E+01,</floatArray>
1.862740300E+01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="2000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
3.407493600E+00, 2.720647900E-02, -1.771320400E-05, 3.407493600E+00, 2.720647900E-02, -1.771320400E-05, 5.639117700E-09,
5.639117700E-09, -7.137868200E-13, 7.532184200E+03, -7.137868200E-13, 7.532184200E+03, 6.132175400E+00,</floatArray>
6.132175400E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- H2SISIH2 --> <!-- species H2SISIH2 -->
<species id="silane_s_H2SISIH2" name="H2SISIH2"> <species name="H2SISIH2">
<note>42489</note> <atomArray>H:4 Si:2 </atomArray>
<atomArray> Si:2 H:4 </atomArray>
<thermo> <thermo>
<NASA Tmax="3000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
5.133186000E+00, 1.252855000E-02, -4.620421000E-07, 5.133186000E+00, 1.252855000E-02, -4.620421000E-07, -6.606075000E-09,
-6.606075000E-09, 2.864345000E-12, 2.956915000E+04, 2.864345000E-12, 2.956915000E+04, 7.605133000E-01,</floatArray>
7.605133000E-01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="3000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
8.986817000E+00, 5.405047000E-03, -5.214022000E-07, 8.986817000E+00, 5.405047000E-03, -5.214022000E-07, -5.313742000E-10,
-5.313742000E-10, 1.188727000E-13, 2.832748000E+04, 1.188727000E-13, 2.832748000E+04, -2.004478000E+01,</floatArray>
-2.004478000E+01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SI3H8 --> <!-- species SI3H8 -->
<species id="silane_s_SI3H8" name="SI3H8"> <species name="SI3H8">
<note>90784</note> <atomArray>H:8 Si:3 </atomArray>
<atomArray> Si:3 H:8 </atomArray>
<thermo> <thermo>
<NASA Tmax="2000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
7.719684600E-01, 6.344274000E-02, -7.672610900E-05, 7.719684600E-01, 6.344274000E-02, -7.672610900E-05, 5.454371500E-08,
5.454371500E-08, -1.661172900E-11, 1.207126300E+04, -1.661172900E-11, 1.207126300E+04, 2.153250700E+01,</floatArray>
2.153250700E+01 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="2000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
6.093334100E+00, 3.658011200E-02, -2.389236100E-05, 6.093334100E+00, 3.658011200E-02, -2.389236100E-05, 7.627193200E-09,
7.627193200E-09, -9.676938400E-13, 1.129720500E+04, -9.676938400E-13, 1.129720500E+04, -2.747565400E+00,</floatArray>
-2.747565400E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SI2 --> <!-- species SI2 -->
<species id="silane_s_SI2" name="SI2"> <species name="SI2">
<note>90784</note> <atomArray>Si:2 </atomArray>
<atomArray> Si:2 </atomArray>
<thermo> <thermo>
<NASA Tmax="2000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
2.967197600E+00, 6.311955800E-03, -1.097079000E-05, 2.967197600E+00, 6.311955800E-03, -1.097079000E-05, 8.927868000E-09,
8.927868000E-09, -2.787368900E-12, 6.987073800E+04, -2.787368900E-12, 6.987073800E+04, 9.278950300E+00,</floatArray>
9.278950300E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="2000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
4.144677900E+00, 6.523467700E-04, -5.010852000E-07, 4.144677900E+00, 6.523467700E-04, -5.010852000E-07, 1.806284300E-10,
1.806284300E-10, -2.516111100E-14, 6.969470700E+04, -2.516111100E-14, 6.969470700E+04, 3.862736600E+00,</floatArray>
3.862736600E+00
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
<!-- SI3 --> <!-- species SI3 -->
<species id="silane_s_SI3" name="SI3"> <species name="SI3">
<note>J 3/67</note> <atomArray>Si:3 </atomArray>
<atomArray> Si:3 </atomArray>
<thermo> <thermo>
<NASA Tmax="5000" Tmid="1000" Tmin="300"> <NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
<floatArray size="7" title="low"> <floatArray name="coeffs" size="7">
4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 4.597912900E+00, 1.071527400E-02, -1.610042200E-05, 1.096920700E-08,
1.096920700E-08, -2.783287500E-12, 7.476632400E+04, -2.783287500E-12, 7.476632400E+04, 3.442167100E+00,</floatArray>
3.442167100E+00 </NASA>
</floatArray> <NASA P0="100000.0" Tmax="5000.0" Tmin="1000.0">
<floatArray size="7" title="high"> <floatArray name="coeffs" size="7">
7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.421336000E+00, -1.170994800E-04, 8.982077500E-08, 7.193596400E-12,
7.193596400E-12, -2.567083700E-15, 7.414669900E+04, -2.567083700E-15, 7.414669900E+04, -1.036527400E+01,</floatArray>
-1.036527400E+01
</floatArray>
</NASA> </NASA>
</thermo> </thermo>
</species> </species>
</speciesData> </speciesData>
<reactionData id="reaction_data">
<!-- reaction data --> <!-- reaction reaction_0001 -->
<reactionData id="silane_rxn_data"> <reaction id="reaction_0001" reversible="yes">
<!-- silane reaction 1 -->
<reaction id="silane_rxn_1" reversible="yes">
<equation>SIH4 + H [=] SIH3 + H2</equation> <equation>SIH4 + H [=] SIH3 + H2</equation>
<reactants> SIH4:1 H:1 </reactants> <rateCoeff>
<products> SIH3:1 H2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 7.800000E+14</A>
<Arrhenius order="2">7.8e+14 0 2260</Arrhenius> <b>0</b>
<E units="cal/mol">2260.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>SIH4:1 H:1</reactants>
<products>H2:1 SIH3:1</products>
</reaction> </reaction>
<!-- silane reaction 2 --> <!-- reaction reaction_0002 -->
<reaction id="silane_rxn_2" reversible="yes" type="threeBody"> <reaction id="reaction_0002" reversible="yes" type="threeBody">
<equation>SIH4 + M [=] SIH3 + H + M</equation> <equation>SIH4 + M [=] SIH3 + H + M</equation>
<reactants> SIH4:1 </reactants> <rateCoeff>
<products> SIH3:1 H:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 3.910000E+15</A>
<Arrhenius order="2">3.91e+15 0 89356</Arrhenius> <b>0</b>
<E units="cal/mol">89356.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>SIH4:1</reactants>
<products>H:1 SIH3:1</products>
</reaction> </reaction>
<!-- silane reaction 3 --> <!-- reaction reaction_0003 -->
<reaction id="silane_rxn_3" reversible="yes"> <reaction id="reaction_0003" reversible="yes">
<equation>SIH3 + H [=] SIH2 + H2</equation> <equation>SIH3 + H [=] SIH2 + H2</equation>
<reactants> SIH3:1 H:1 </reactants> <rateCoeff>
<products> SIH2:1 H2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 7.800000E+14</A>
<Arrhenius order="2">7.8e+14 0 2260</Arrhenius> <b>0</b>
<E units="cal/mol">2260.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>H:1 SIH3:1</reactants>
<products>H2:1 SIH2:1</products>
</reaction> </reaction>
<!-- silane reaction 4 --> <!-- reaction reaction_0004 -->
<reaction id="silane_rxn_4" reversible="yes" type="threeBody"> <reaction id="reaction_0004" reversible="yes" type="threeBody">
<equation>SI + SI + M [=] SI2 + M</equation> <equation>SI + SI + M [=] SI2 + M</equation>
<reactants> SI:1 SI:1 </reactants> <rateCoeff>
<products> SI2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm6/mol2/s"> 2.470000E+16</A>
<Arrhenius order="3">2.47e+16 0 1178</Arrhenius> <b>0</b>
<E units="cal/mol">1178.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>SI:2</reactants>
<products>SI2:1</products>
</reaction> </reaction>
<!-- silane reaction 5 --> <!-- reaction reaction_0005 -->
<reaction id="silane_rxn_5" reversible="yes"> <reaction id="reaction_0005" reversible="yes">
<equation>SIH4 + SIH2 [=] H3SISIH + H2</equation> <equation>SIH4 + SIH2 [=] H3SISIH + H2</equation>
<reactants> SIH4:1 SIH2:1 </reactants> <rateCoeff>
<products> H3SISIH:1 H2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 1.300000E+13</A>
<Arrhenius order="2">1.3e+13 0 0</Arrhenius> <b>0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>SIH4:1 SIH2:1</reactants>
<products>H2:1 H3SISIH:1</products>
</reaction> </reaction>
<!-- silane reaction 6 --> <!-- reaction reaction_0006 -->
<reaction id="silane_rxn_6" reversible="yes"> <reaction id="reaction_0006" reversible="yes">
<equation>SIH + H2 [=] SIH2 + H</equation> <equation>SIH + H2 [=] SIH2 + H</equation>
<reactants> SIH:1 H2:1 </reactants> <rateCoeff>
<products> SIH2:1 H:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 4.800000E+14</A>
<Arrhenius order="2">4.8e+14 0 23.64</Arrhenius> <b>0</b>
<E units="cal/mol">23.640000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>H2:1 SIH:1</reactants>
<products>H:1 SIH2:1</products>
</reaction> </reaction>
<!-- silane reaction 7 --> <!-- reaction reaction_0007 -->
<reaction id="silane_rxn_7" reversible="yes"> <reaction id="reaction_0007" reversible="yes">
<equation>SIH + SIH4 [=] H3SISIH + H</equation> <equation>SIH + SIH4 [=] H3SISIH + H</equation>
<reactants> SIH:1 SIH4:1 </reactants> <rateCoeff>
<products> H3SISIH:1 H:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 1.600000E+14</A>
<Arrhenius order="2">1.6e+14 0 0</Arrhenius> <b>0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>SIH4:1 SIH:1</reactants>
<products>H:1 H3SISIH:1</products>
</reaction> </reaction>
<!-- silane reaction 8 --> <!-- reaction reaction_0008 -->
<reaction id="silane_rxn_8" reversible="yes"> <reaction id="reaction_0008" reversible="yes">
<equation>SI + H2 [=] SIH + H</equation> <equation>SI + H2 [=] SIH + H</equation>
<reactants> SI:1 H2:1 </reactants> <rateCoeff>
<products> SIH:1 H:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="cm3/mol/s"> 1.500000E+15</A>
<Arrhenius order="2">1.5e+15 0 31.8</Arrhenius> <b>0</b>
<E units="cal/mol">31.800000</E>
</Arrhenius>
</rateCoeff> </rateCoeff>
<reactants>H2:1 SI:1</reactants>
<products>H:1 SIH:1</products>
</reaction> </reaction>
<!-- silane reaction 9 --> <!-- reaction reaction_0009 -->
<reaction id="silane_rxn_9" reversible="yes" type="falloff"> <reaction id="reaction_0009" reversible="yes" type="falloff">
<equation>SIH4 (+ M) [=] SIH2 + H2 (+ M)</equation> <equation>SIH4 (+ M) [=] SIH2 + H2 (+ M)</equation>
<reactants> SIH4:1 </reactants> <rateCoeff>
<products> SIH2:1 H2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 3.119000E+09</A>
<Arrhenius order="1">3.119e+09 1.669 54710</Arrhenius> <b>1.669</b>
<Arrhenius order="2">5.214e+29 -3.545 57550</Arrhenius> <E units="cal/mol">54710.000000</E>
<falloff type="Troe"> -0.4984 888.3 209.4 2760 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 5.214000E+29</A>
</efficiencies> <b>-3.5449999999999999</b>
<E units="cal/mol">57550.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">-0.4984 888.3 209.4 2760 </falloff>
</rateCoeff> </rateCoeff>
<reactants>SIH4:1</reactants>
<products>H2:1 SIH2:1</products>
</reaction> </reaction>
<!-- silane reaction 10 --> <!-- reaction reaction_0010 -->
<reaction id="silane_rxn_10" reversible="yes" type="falloff"> <reaction id="reaction_0010" reversible="yes" type="falloff">
<equation>H3SISIH (+ M) [=] H2SISIH2 (+ M)</equation> <equation>H3SISIH (+ M) [=] H2SISIH2 (+ M)</equation>
<reactants> H3SISIH:1 </reactants> <rateCoeff>
<products> H2SISIH2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 2.540000E+13</A>
<Arrhenius order="1">2.54e+13 -0.2239 5381</Arrhenius> <b>-0.22389999999999999</b>
<Arrhenius order="2">1.099e+33 -5.765 9152</Arrhenius> <E units="cal/mol">5381.000000</E>
<falloff type="Troe"> -0.4202 214.5 103 136.3 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 1.099000E+33</A>
</efficiencies> <b>-5.7649999999999997</b>
<E units="cal/mol">9152.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">-0.4202 214.5 103 136.3 </falloff>
</rateCoeff> </rateCoeff>
<reactants>H3SISIH:1</reactants>
<products>H2SISIH2:1</products>
</reaction> </reaction>
<!-- silane reaction 11 --> <!-- reaction reaction_0011 -->
<reaction id="silane_rxn_11" reversible="yes" type="falloff"> <reaction id="reaction_0011" reversible="yes" type="falloff">
<equation>SI3H8 (+ M) [=] SIH4 + H3SISIH (+ M)</equation> <equation>SI3H8 (+ M) [=] SIH4 + H3SISIH (+ M)</equation>
<reactants> SI3H8:1 </reactants> <rateCoeff>
<products> SIH4:1 H3SISIH:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 3.730000E+12</A>
<Arrhenius order="1">3.73e+12 0.992 50850</Arrhenius> <b>0.99199999999999999</b>
<Arrhenius order="2">4.36e+76 -17.26 59303</Arrhenius> <E units="cal/mol">50850.000000</E>
<falloff type="Troe"> 0.4157 365.3 3102 9.724 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 4.360000E+76</A>
</efficiencies> <b>-17.260000000000002</b>
<E units="cal/mol">59303.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">0.4157 365.3 3102 9.724 </falloff>
</rateCoeff> </rateCoeff>
<reactants>SI3H8:1</reactants>
<products>SIH4:1 H3SISIH:1</products>
</reaction> </reaction>
<!-- silane reaction 12 --> <!-- reaction reaction_0012 -->
<reaction id="silane_rxn_12" reversible="yes" type="falloff"> <reaction id="reaction_0012" reversible="yes" type="falloff">
<equation>SI3H8 (+ M) [=] SIH2 + SI2H6 (+ M)</equation> <equation>SI3H8 (+ M) [=] SIH2 + SI2H6 (+ M)</equation>
<reactants> SI3H8:1 </reactants> <rateCoeff>
<products> SIH2:1 SI2H6:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 6.970000E+12</A>
<Arrhenius order="1">6.97e+12 0.9691 52677</Arrhenius> <b>0.96909999999999996</b>
<Arrhenius order="2">1.73e+69 -15.07 60491</Arrhenius> <E units="cal/mol">52677.000000</E>
<falloff type="Troe"> -3.47e-05 442 2412 128.3 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 1.730000E+69</A>
</efficiencies> <b>-15.07</b>
<E units="cal/mol">60491.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">-3.47e-05 442 2412 128.3 </falloff>
</rateCoeff> </rateCoeff>
<reactants>SI3H8:1</reactants>
<products>SI2H6:1 SIH2:1</products>
</reaction> </reaction>
<!-- silane reaction 13 --> <!-- reaction reaction_0013 -->
<reaction id="silane_rxn_13" reversible="yes" type="falloff"> <reaction id="reaction_0013" reversible="yes" type="falloff">
<equation>SI2H6 (+ M) [=] H2 + H3SISIH (+ M)</equation> <equation>SI2H6 (+ M) [=] H2 + H3SISIH (+ M)</equation>
<reactants> SI2H6:1 </reactants> <rateCoeff>
<products> H2:1 H3SISIH:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 9.086000E+09</A>
<Arrhenius order="1">9.086e+09 1.834 54197</Arrhenius> <b>1.8340000000000001</b>
<Arrhenius order="2">1.945e+44 -7.772 59023</Arrhenius> <E units="cal/mol">54197.000000</E>
<falloff type="Troe"> -0.1224 793.3 2400 11.39 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 1.945000E+44</A>
</efficiencies> <b>-7.7720000000000002</b>
<E units="cal/mol">59023.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">-0.1224 793.3 2400 11.39 </falloff>
</rateCoeff> </rateCoeff>
<reactants>SI2H6:1</reactants>
<products>H2:1 H3SISIH:1</products>
</reaction> </reaction>
<!-- silane reaction 14 --> <!-- reaction reaction_0014 -->
<reaction id="silane_rxn_14" reversible="yes" type="falloff"> <reaction id="reaction_0014" reversible="yes" type="falloff">
<equation>SI2H6 (+ M) [=] SIH4 + SIH2 (+ M)</equation> <equation>SI2H6 (+ M) [=] SIH4 + SIH2 (+ M)</equation>
<reactants> SI2H6:1 </reactants> <rateCoeff>
<products> SIH4:1 SIH2:1 </products> <Arrhenius>
<rateCoeff Eunits="cal/mol" units="mol,cm,s"> <A units="/s"> 1.810000E+10</A>
<Arrhenius order="1">1.81e+10 1.747 50203</Arrhenius> <b>1.7470000000000001</b>
<Arrhenius order="2">5.09e+53 -10.37 56034</Arrhenius> <E units="cal/mol">50203.000000</E>
<falloff type="Troe"> 4.375e-05 438.5 2726 438.2 </falloff> </Arrhenius>
<efficiencies default="1"> <Arrhenius name="k0">
SI2H6:4 SIH4:4 <A units="cm3/mol/s"> 5.090000E+53</A>
</efficiencies> <b>-10.369999999999999</b>
<E units="cal/mol">56034.000000</E>
</Arrhenius>
<efficiencies default="1.0"> SI2H6:4 SIH4:4 </efficiencies>
<falloff type="Troe">4.375e-05 438.5 2726 438.2 </falloff>
</rateCoeff> </rateCoeff>
<reactants>SI2H6:1</reactants>
<products>SIH4:1 SIH2:1</products>
</reaction> </reaction>
</reactionData> </reactionData>
</ctml> </ctml>