55 lines
1.7 KiB
XML
55 lines
1.7 KiB
XML
<?xml version="1.0"?>
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<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase gas -->
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<phase dim="3" id="gas">
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<elementArray datasrc="elements.xml">H C</elementArray>
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<speciesArray datasrc="#species_data">R1A</speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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<state>
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<temperature units="K">300.0</temperature>
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<pressure units="Pa">101325.0</pressure>
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</state>
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<thermo model="IdealGas"/>
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<kinetics model="GasKinetics"/>
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<transport model="None"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_data">
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<!-- u' species R1A ' -->
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<species name="R1A">
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<atomArray>H:4 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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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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</NASA>
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<NASA Tmax="3500.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="7">
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7.485149500E-02, 1.339094670E-02, -5.732858090E-06, 1.222925350E-09,
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-1.018152300E-13, -9.468344590E+03, 1.843731800E+01</floatArray>
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</NASA>
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</thermo>
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</species>
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</speciesData>
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<reactionData id="reaction_data">
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<!-- reaction 0001 -->
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<reaction reversible="no" id="0001">
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<equation>R1A =] R1A</equation>
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<rateCoeff>
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<Arrhenius>
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<A>1.000000E+18</A>
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<b>-2.0</b>
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<E units="cal/mol">1000.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>R1A:1.0</reactants>
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<products>R1A:1.0</products>
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</reaction>
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</reactionData>
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</ctml>
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