41 lines
1.2 KiB
XML
41 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 NaCl(S) -->
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<phase dim="3" id="NaCl(S)">
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<elementArray datasrc="elements.xml">
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Na Cl
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</elementArray>
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<speciesArray datasrc="#species_NaCl(S)"> NaCl(S) </speciesArray>
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<thermo model="MineralEQ3" />
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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_NaCl(S)">
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<species name="NaCl(s)">
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<atomArray> Na:1 Cl:1 </atomArray>
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<charge> 0 </charge>
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<thermo model="MineralEQ3">
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<MinEQ3 Pref="1 atm" Tmax="1073." Tmin="200.">
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<DG0_f_Pr_Tr units="cal/gmol"> -91807 </DG0_f_Pr_Tr>
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<DH0_f_Pr_Tr units="cal/gmol"> -98260 </DH0_f_Pr_Tr>
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<S0_Pr_Tr units="cal/gmol/K"> 17.24 </S0_Pr_Tr>
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<a units="cal/gmol/K"> 10.98 </a>
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<b units="cal/gmol/K2"> 3.9E-3 </b>
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<c units="cal K/gmol"> 0.0E5 </c>
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</MinEQ3>
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</thermo>
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<standardState model="constantVolume">
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<V0_Pr_Tr units="cm3/gmol"> 27.015 </V0_Pr_Tr>
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</standardState>
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</species>
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</speciesData>
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</ctml>
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