diff --git a/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py b/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py index e73bbdd99d..1d8edd438b 100644 --- a/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py +++ b/input/kinetics/libraries/primaryNitrogenLibrary/reactions.py @@ -1658,21 +1658,6 @@ """, ) -entry( - index = 84, - label = "N + H2 <=> NH + H", - degeneracy = 1, - kinetics = Arrhenius(A=(1.60e+14, 'cm^3/(mol*s)'), n=0, Ea=(25138, 'cal/mol'), T0=(1, 'K')), - shortDesc = u"""[Hanson1990b]""", - longDesc = -u""" -Part of the "NNH Pathway" -See [Hanson1990b] R2; p. 860 -Shock Tube -Added as a training reaction to H_Abstraction -""", -) - entry( index = 85, label = "NNH + O2 <=> N2 + HO2", @@ -6581,3 +6566,18 @@ CCSD(T)-F12/cc-pvtz-f12//B2PLYPD3/aug-cc-pvtz """, ) + +entry( + index=400, + label='NH + H <=> H2 + N', + kinetics=Arrhenius(A=(1.06816e+08,'cm^3/(mol*s)'), n=1.64895, Ea=(1.98218,'kJ/mol'), + T0=(1, 'K'), Tmin=(300, 'K'), Tmax=(3000, 'K')), + shortDesc=u"""[GrinbergDana2023]""", + longDesc= + u""" + michal_1 + CCSD(T)-F12/cc-pvtz-f12//B2PLYPD3/aug-cc-pvtz + + Also available experimentally from [Hanson1990b], R2, p. 860, shock tube. + """, +)