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Copilotsevyharris
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Correct SO(S) => SO(T) training reaction rank from 1 to 9 because it's an estimate
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  • input/kinetics/families/Singlet_Val6_to_triplet/training

input/kinetics/families/Singlet_Val6_to_triplet/training/reactions.py

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -36,7 +36,7 @@
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degeneracy = 1.0,
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reversible = False,
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kinetics = Arrhenius(A=(2.5e+17, 's^-1'), n=0, Ea=(0, 'cal/mol'), T0=(1, 'K')),
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rank = 1,
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rank = 9,
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longDesc =
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u"""
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taken from:
@@ -48,6 +48,9 @@
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As reported by:
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Rasmussen CL GlArborg P MArshall P Proc Combust Inst 2007, 31, 339-347
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Reaction 7
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doi: 10.1016/j.proci.2006.07.249
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Adjusted to a first order reaction at 1 atm by alongd:
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n/V = P/RT = 1 bar / (83 cm^3 bar K^-1 mol^-1 * 300 K) = 4E-05 mol cm^-3

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