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44 lines
1.6 KiB
XML
44 lines
1.6 KiB
XML
<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase argon -->
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<phase dim="3" id="argon">
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<elementArray datasrc="elements.xml"> Ar </elementArray>
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<speciesArray datasrc="#species_data"> AR </speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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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 AR -->
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<species name="AR">
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<atomArray>Ar:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000.0" Tmin="300.0">
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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, 4.366000000E+00,</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="5000.0" Tmin="1000.0">
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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, 4.366000000E+00,</floatArray>
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</NASA>
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</thermo>
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<transport model="gas_transport">
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<string title="geometry">atom</string>
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<LJ_welldepth units="K"> 136.500</LJ_welldepth>
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<LJ_diameter units="A"> 3.330</LJ_diameter>
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<dipoleMoment units="Debye"> 0.000</dipoleMoment>
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<polarizability units="A3"> 0.000</polarizability>
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<rotRelax> 0.000</rotRelax>
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</transport>
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</species>
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</speciesData>
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<reactionData id="reaction_data"/>
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</ctml>
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