47 lines
1.2 KiB
XML
47 lines
1.2 KiB
XML
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<?xml version="1.0"?>
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<ctml>
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<validate reactions="yes" species="yes"/>
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<!-- phase H -->
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<phase dim="3" id="H">
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<elementArray datasrc="elements.xml">
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O H C N Na Cl
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</elementArray>
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<speciesArray datasrc="#species_test"> H O</speciesArray>
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<thermo model="IdealGas">
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<density units="g/cm3">2.165</density>
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</thermo>
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<transport model="None"/>
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<kinetics model="none"/>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_test">
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<!-- species H -->
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<species name="H">
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<atomArray> H:1 </atomArray>
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<thermo>
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<StatMech P0="100000.0" Tmax="1000.0" Tmin="0.1">
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</StatMech>
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</thermo>
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<density units="g/cm3">2.165</density>
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</species>
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<!-- species O -->
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<species name="O">
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<atomArray> O:1 </atomArray>
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<thermo>
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<StatMech P0="100000.0" Tmax="1000.0" Tmin="0.1">
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<floatArray name="coeffs" size="7">
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2.344331120E+00, 7.980520750E-03, -1.947815100E-05, 2.015720940E-08,
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-7.376117610E-12, -9.179351730E+02, 6.830102380E-01</floatArray>
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</StatMech>
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</thermo>
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<density units="g/cm3">2.165</density>
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</species>
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</speciesData>
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</ctml>
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