mirror of
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91 lines
2.6 KiB
XML
91 lines
2.6 KiB
XML
<?xml version="1.0"?>
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<ctml>
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<phase id="surface" dim="2">
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<state>
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<temperature units="K">500</temperature>
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</state>
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<thermo model="Surface">
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<site_density>1.0e-9</site_density>
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</thermo>
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<elementArray datasrc="elements.xml"> O H C</elementArray>
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<speciesArray datasrc="#surf_species_data">
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surf-* surf-H
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</speciesArray>
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<reactionArray datasrc="#surf_rxn_data">
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</reactionArray>
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<kinetics model="Interface"/>
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<phaseArray> gri30 </phaseArray>
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</phase>
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<!-- species data
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Note that these entries are for demonstration only, and the thermo
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is made up.
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-->
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<speciesData id="surf_species_data">
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<species name="surf-*">
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<note>open site</note>
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<atomArray> </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000" Tmin="200">
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<floatArray name="coeff" size="7">
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2.344331120E+000, 7.980520750E-003, -1.947815100E-005,
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2.015720940E-008, -7.376117610E-012, -9.179351730E+002,
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6.830102380E-001
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</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500" Tmin="1000">
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<floatArray name="coeff" size="7">
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3.337279200E+000, -4.940247310E-005, 4.994567780E-007,
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-1.795663940E-010, 2.002553760E-014, -9.501589220E+002,
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-3.205023310E+000
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</floatArray>
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</NASA>
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</thermo>
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</species>
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<species name="surf-H">
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<note>surface H</note>
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<atomArray> H:1 </atomArray>
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<thermo>
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<NASA P0="100000.0" Tmax="1000" Tmin="200">
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<floatArray name="coeff" size="7">
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2.500000000E+000, 7.053328190E-013, -1.995919640E-015,
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2.300816320E-018, -9.277323320E-022, 2.547365990E+004,
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-4.466828530E-001
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</floatArray>
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</NASA>
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<NASA P0="100000.0" Tmax="3500" Tmin="1000">
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<floatArray name="coeff" size="7">
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2.500000010E+000, -2.308429730E-011, 1.615619480E-014,
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-4.735152350E-018, 4.981973570E-022, 2.547365990E+004,
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-4.466829140E-001
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</floatArray>
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</NASA>
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</thermo>
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</species>
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</speciesData>
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<!-- reaction data -->
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<reactionData id="surf_rxn_data">
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<!-- reaction 1 -->
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<reaction id="surf_rxn_1" reversible="yes">
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<equation>H + surf-H [=] H2 + surf-*</equation>
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<reactants> H:1 surf-H:1 </reactants>
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<products>H2:1 surf-*:1 </products>
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<rateCoeff>
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<Arrhenius>
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<A units="cm3/mol/s">1.0E14</A>
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<b>0.0</b>
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<E units="cal/mol">0.0</E>
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</Arrhenius>
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</rateCoeff>
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</reaction>
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</reactionData>
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</ctml>
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