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85 lines
3.3 KiB
XML
85 lines
3.3 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 sample -->
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<phase dim="3" id="sample">
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<elementArray datasrc="elements.xml">O H Al Cl E Ar</elementArray>
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<speciesArray datasrc="#species_data">ALCL3 e- AR</speciesArray>
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<reactionArray datasrc="#reaction_data"/>
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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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<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 ALCL3 -->
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<species name="ALCL3">
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<atomArray>Al:1 Cl:3 </atomArray>
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<note>Gurvich,1996a pt1 p173 pt2 p134.</note>
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<thermo>
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<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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7.750600970E+04, -1.440779717E+03, 1.401744141E+01, -6.381631240E-03,
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5.871674720E-06, -2.908872278E-09, 5.994050890E-13, -6.579343180E+04,
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-4.494017799E+01</floatArray>
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</NASA9>
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<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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-1.378630916E+05, -5.579207290E+01, 1.004190387E+01, -1.682165339E-05,
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3.724664660E-09, -4.275526780E-13, 1.982341329E-17, -7.343407470E+04,
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-2.045130429E+01</floatArray>
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</NASA9>
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</thermo>
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</species>
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<!-- species e- -->
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<species name="e-">
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<atomArray>E:1 </atomArray>
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<note>Ref-Species. Chase, 1998 3/82. </note>
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<charge>-1</charge>
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<thermo>
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<NASA9 Tmax="1000.0" Tmin="298.15" P0="100000.0">
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<floatArray name="coeffs" size="9">
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0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
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-1.172081224E+01</floatArray>
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</NASA9>
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<NASA9 Tmax="6000.0" Tmin="1000.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
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-1.172081224E+01</floatArray>
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</NASA9>
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<NASA9 Tmax="20000.0" Tmin="6000.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
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-1.172081224E+01</floatArray>
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</NASA9>
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</thermo>
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</species>
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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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<note>Ref-Elm. Moore,1971. Gordon,1999.. </note>
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<thermo>
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<NASA9 Tmax="1000.0" Tmin="200.0" P0="100000.0">
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<floatArray name="coeffs" size="9">
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0.000000000E+00, 0.000000000E+00, 2.500000000E+00, 0.000000000E+00,
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0.000000000E+00, 0.000000000E+00, 0.000000000E+00, -7.453750000E+02,
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4.379674910E+00</floatArray>
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</NASA9>
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</thermo>
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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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