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Added frac.xml, since this is now a required file.

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This commit is contained in:
Harry Moffat 2006-06-22 15:10:10 +00:00
parent 19b1def17f
commit 48285fbe21
2 changed files with 157 additions and 2 deletions
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2
test_problems/fracCoeff/.cvsignore
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@ -4,7 +4,6 @@ diff_test.out
output.txt
runDiamond
ct2ctml.log
diamond.xml
xml_diff_test.out
.depends
*.d
@ -16,5 +15,4 @@ outputa.txt
test.xml
fracCoeff
Sun*
frac.xml
fraca.xml

157
test_problems/fracCoeff/frac.xml Normal file
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@ -0,0 +1,157 @@
<?xml version="1.0"?>
<ctml>
<validate reactions="yes" species="yes"/>
<!-- phase gas -->
<phase dim="3" id="gas">
<elementArray datasrc="elements.xml">O H </elementArray>
<speciesArray datasrc="#species_data">H2 H O O2 OH H2O </speciesArray>
<reactionArray datasrc="#reaction_data"/>
<state>
<temperature units="K">300.0</temperature>
<pressure units="Pa">101325.0</pressure>
</state>
<thermo model="IdealGas"/>
<kinetics model="GasKinetics"/>
<transport model="None"/>
</phase>
<!-- species definitions -->
<speciesData id="species_data">
<!-- 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="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.337279200E+00, -4.940247310E-05, 4.994567780E-07, -1.795663940E-10,
2.002553760E-14, -9.501589220E+02, -3.205023310E+00</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, 7.053328190E-13, -1.995919640E-15, 2.300816320E-18,
-9.277323320E-22, 2.547365990E+04, -4.466828530E-01</floatArray>
</NASA>
<NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
2.500000010E+00, -2.308429730E-11, 1.615619480E-14, -4.735152350E-18,
4.981973570E-22, 2.547365990E+04, -4.466829140E-01</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="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
2.569420780E+00, -8.597411370E-05, 4.194845890E-08, -1.001777990E-11,
1.228336910E-15, 2.921757910E+04, 4.784338640E+00</floatArray>
</NASA>
</thermo>
</species>
<!-- species O2 -->
<species name="O2">
<atomArray>O:2 </atomArray>
<thermo>
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.782456360E+00, -2.996734160E-03, 9.847302010E-06, -9.681295090E-09,
3.243728370E-12, -1.063943560E+03, 3.657675730E+00</floatArray>
</NASA>
<NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.282537840E+00, 1.483087540E-03, -7.579666690E-07, 2.094705550E-10,
-2.167177940E-14, -1.088457720E+03, 5.453231290E+00</floatArray>
</NASA>
</thermo>
</species>
<!-- species OH -->
<species name="OH">
<atomArray>H:1 O:1 </atomArray>
<thermo>
<NASA Tmax="1000.0" Tmin="200.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.992015430E+00, -2.401317520E-03, 4.617938410E-06, -3.881133330E-09,
1.364114700E-12, 3.615080560E+03, -1.039254580E-01</floatArray>
</NASA>
<NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.092887670E+00, 5.484297160E-04, 1.265052280E-07, -8.794615560E-11,
1.174123760E-14, 3.858657000E+03, 4.476696100E+00</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="3500.0" Tmin="1000.0" P0="100000.0">
<floatArray name="coeffs" size="7">
3.033992490E+00, 2.176918040E-03, -1.640725180E-07, -9.704198700E-11,
1.682009920E-14, -3.000429710E+04, 4.966770100E+00</floatArray>
</NASA>
</thermo>
</species>
</speciesData>
<reactionData id="reaction_data">
<!-- reaction 0001 -->
<reaction reversible="no" id="0001">
<equation>H2O =] 1.4 H + 0.6 OH + 0.2 O2</equation>
<rateCoeff>
<Arrhenius>
<A>1.000000E+13</A>
<b>0.0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
</rateCoeff>
<reactants>H2O:1.0</reactants>
<products>H:1.3999999999999999 O2:0.20000000000000001 OH:0.59999999999999998</products>
</reaction>
<!-- reaction 0002 -->
<reaction reversible="no" id="0002">
<equation>0.7 H2 + 0.6 OH + 0.2 O2 =] H2O</equation>
<order species="H2">0.80000000000000004</order>
<order species="O2">1.0</order>
<order species="OH">2.0</order>
<rateCoeff>
<Arrhenius>
<A>3.981072E+04</A>
<b>0.0</b>
<E units="cal/mol">0.000000</E>
</Arrhenius>
</rateCoeff>
<reactants>H2:0.69999999999999996 O2:0.20000000000000001 OH:0.59999999999999998</reactants>
<products>H2O:1.0</products>
</reaction>
</reactionData>
</ctml>