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Merge pull request #676 from ReactionMechanismGenerator/fix_primary_H2O2_fix
fixed irreversible reactions from table 2 of Konnov 2015, X2 and X3
2 parents c8c2af6 + 6175164 commit ca804c5

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input/kinetics/libraries/primaryH2O2/reactions.py

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -460,15 +460,17 @@
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entry(
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index=45,
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label="H2 + O2 <=> O + H2O",
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label="H2 + O2 => O + H2O",
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reversible = False,
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kinetics=Arrhenius(A=(3e+13, 'cm^3/(mol*s)'), n=0, Ea=(69545, 'cal/mol'), T0=(1, 'K')),
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shortDesc=u"""[Konnov2015]""",
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longDesc=u"""Table 2, Reaction X2""",
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)
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entry(
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index=46,
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label="H2 + O2 + O2 <=> HO2 + HO2",
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label="H2 + O2 + O2 => HO2 + HO2",
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reversible = False,
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kinetics=Arrhenius(A=(2e+17, 'cm^6/(mol^2*s)'), n=0, Ea=(25830, 'cal/mol'), T0=(1, 'K')),
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shortDesc=u"""[Konnov2015]""",
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longDesc=u"""Table 2, Reaction X3""",

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