From a412d174179d95d294d599148683759884be9206 Mon Sep 17 00:00:00 2001 From: Alon Grinberg Dana Date: Thu, 28 Dec 2023 09:18:36 +0200 Subject: [PATCH] Updated N2H3 + NH2 <=> N2H2 + NH3 in HydrazinePDep --- input/kinetics/libraries/HydrazinePDep/reactions.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/input/kinetics/libraries/HydrazinePDep/reactions.py b/input/kinetics/libraries/HydrazinePDep/reactions.py index ad1d4ba16c..7cceacf401 100644 --- a/input/kinetics/libraries/HydrazinePDep/reactions.py +++ b/input/kinetics/libraries/HydrazinePDep/reactions.py @@ -139,11 +139,11 @@ index = 7, label = "N2H3 + NH2 <=> N2H2 + NH3", duplicate = True, - kinetics = Arrhenius(A=(9.2e+05, 'cm^3/(mol*s)'), n=1.94, Ea=(-1.152, 'kcal/mol'), T0=(1, 'K')), + kinetics = Arrhenius(A=(6.08e-01, 'cm^3/(mol*s)'), n=3.57, Ea=(1194, 'cal/mol'), T0=(1, 'K')), longDesc = u""" -Taken from the Nitrogen_Dean_and_Bozzelli library -The same rate appears in the NOx2018 library +Taken from https://doi.org/10.1021/acs.jpca.0c03144 +Also available from D&B (the same rate appears in the NOx2018 library) D&B estimated this rate of the direct hydrogen transfer reaction (not including the well-skipping rate) """, )