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e31ad91a15
If a reactionData or speciesData node has a duplicated id attribute, combine the duplicate sections together. If duplicate reaction id attributes or species names are found, either warn or raise an error.
90 lines
2.8 KiB
XML
90 lines
2.8 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 R1B</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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<!-- 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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<!-- species R1B -->
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<species name="R1B">
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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 id="0001">
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<equation>R1A [=] R1B</equation>
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<rateCoeff>
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<Arrhenius>
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<A>1.000000E+09</A>
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<b>0.0</b>
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<E units="cal/mol">20000.000000</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>R1B:1.0</products>
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</reaction>
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</reactionData>
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<reactionData id="reaction_data">
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<!-- reaction 0001 -->
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<reaction id="0001">
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<equation>R1B [=] R1A</equation>
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<rateCoeff>
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<Arrhenius>
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<A>1.000000E+09</A>
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<b>0.0</b>
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<E units="cal/mol">20000.000000</E>
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</Arrhenius>
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</rateCoeff>
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<reactants>R1B: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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