0542e694a9
Use the implementation of StoichSubstanceSSTP (descended from SingleSpeciesTP) but change the name to StoichSubstance.
52 lines
1.5 KiB
XML
52 lines
1.5 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 Li(L) -->
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<phase dim="3" id="Li(L)">
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<elementArray datasrc="elements.xml">
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Li
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</elementArray>
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<speciesArray datasrc="#species_Li(L)"> Li(L) </speciesArray>
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<thermo model="StoichSubstance">
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<density> 0.48 </density>
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</thermo>
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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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<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_Li(L)">
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<!-- species Li(L) -->
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<!-- melting temperature = 180.5 C -->
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<species name="Li(L)">
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<atomArray> Li:1 </atomArray>
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<standardState model="density_temperature_polynomial">
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<!-- density from Goodfellows. Metals, Alloys, Compounds, Ceramcs, Polymers, Composites. Catalogue 1993/1994 -->
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<density units="g/cm3">
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<floatArray size="4">
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0.536504, -1.04279e-4, 3.84825e-9, -5.2853e-12
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</floatArray>
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</density>
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</standardState>
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<thermo>
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<Shomate Pref="1 bar" Tmax="700" Tmin="298">
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<floatArray size="7">
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26.3072, 30.4657, -69.1692, 44.1951, 0.0776, -6.0337, 59.8106
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</floatArray>
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</Shomate>
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<Shomate Pref="1 bar" Tmax="3000" Tmin="700">
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<floatArray size="7">
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22.6832, 10.476, -6.5428, 1.3255, 0.8783, -2.0426, 62.8859
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</floatArray>
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</Shomate>
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</thermo>
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</species>
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</speciesData>
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</ctml>
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