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Removed H2 + O2 + O2 form primaryH2O2 #692

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Removed H2 + O2 + O2 form primaryH2O2 #692

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15 changes: 3 additions & 12 deletions input/kinetics/libraries/primaryH2O2/reactions.py
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Original file line number Diff line number Diff line change
Expand Up @@ -469,15 +469,6 @@

entry(
index=46,
label="H2 + O2 + O2 => HO2 + HO2",
reversible = False,
kinetics=Arrhenius(A=(2e+17, 'cm^6/(mol^2*s)'), n=0, Ea=(25830, 'cal/mol'), T0=(1, 'K')),
shortDesc=u"""[Konnov2015]""",
longDesc=u"""Table 2, Reaction X3""",
)

entry(
index=47,
label="O + OH <=> HO2",
kinetics=ThirdBody(
arrheniusLow=Arrhenius(A=(1e+15, 'cm^6/(mol^2*s)'), n=0, Ea=(0, 'cal/mol'), T0=(1, 'K'))),
Expand All @@ -486,7 +477,7 @@
)

entry(
index=48,
index=47,
label="HO2 + H <=> H2O2",
kinetics=ThirdBody(
arrheniusLow=Arrhenius(A=(6.0E+14, 'cm^6/(mol^2*s)'), n=1.25, Ea=(-270, 'cal/mol'), T0=(1, 'K'))),
Expand All @@ -502,15 +493,15 @@
)

entry(
index=49,
index=48,
label="H2O2 + O <=> H2O + O2",
kinetics=Arrhenius(A=(8.43E+11, 'cm^3/(mol*s)'), n=0.00, Ea=(3.970E+03, 'cal/mol'), T0=(1, 'K')),
shortDesc=u"""[Baulch2005]""",
longDesc=u"""Added from the BurkeH2O2 library Reaction X5 in Burke at el. (Table III), Upper limit""",
)

entry(
index=50,
index=49,
label="HO2 + HO2 <=> O2 + OH + OH",
kinetics=Arrhenius(A=(6.41E17, 'cm^3/(mol*s)'), n=-1.54, Ea=(16971, 'cal/mol'), Tmin=(400, 'K'), Tmax=(2000, 'K')),
shortDesc=u"""[Klippenstein2022]""",
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