93fcf181b1
Based on Maskell, Shaw, and Tye, Electrochimica Acta 28(2) 225-230 1983. Includes unit tests checking calculation of the chemical potential values and parsing of the mixing enthalpy parameter from an XML file.
58 lines
1.5 KiB
XML
58 lines
1.5 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 dim="3" id="Soln_Maskell9">
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<elementArray datasrc="elements.xml">
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H He
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</elementArray>
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<speciesArray datasrc="#species_Soln">
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H(s) He(s)
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</speciesArray>
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<thermo model="MaskellSolidSolnPhase">
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<h_mix>-1000.</h_mix>
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<density units="kg/m3"> 1.0 </density>
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</thermo>
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<kinetics model="none"/>
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<state>
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<temperature> 298.15 </temperature>
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<pressure units="atm"> 1.0 </pressure>
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<moleFractions>
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H(s):0.90 He(s):0.10
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</moleFractions>
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</state>
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</phase>
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<!-- species definitions -->
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<speciesData id="species_Soln">
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<species name="H(s)">
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<atomArray> H:1 He:2 </atomArray>
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<thermo>
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<Shomate Pref="1 bar" Tmax="800." Tmin="250.0">
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<floatArray size="1">
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1.
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</floatArray>
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</Shomate>
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</thermo>
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<standardState model="constant_incompressible">
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<molarVolume units="m3/kmol"> 0.005 </molarVolume>
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</standardState>
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</species>
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<species name="He(s)">
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<atomArray> H:0 He:1 </atomArray>
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<thermo>
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<Shomate Pref="1 bar" Tmax="800." Tmin="250.0">
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<floatArray size="1">
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6.94544000E+01,
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</floatArray>
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</Shomate>
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</thermo>
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<standardState model="constant_incompressible">
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<molarVolume units="m3/kmol"> 0.005 </molarVolume>
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</standardState>
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</species>
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</speciesData>
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</ctml>
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