From e1b6febf5d813a3096af75d737fbdef9625baf43 Mon Sep 17 00:00:00 2001 From: alongd Date: Fri, 27 Apr 2018 13:47:17 -0400 Subject: [PATCH] Corrected s^-1 units in N_D&B kinetic family Should be `s^-1`, not `1/s`. The latter results in a `KeyError: '1/s'` when these reactions are searched for on the website --- .../Nitrogen_Dean_and_Bozzelli/reactions.py | 26 +++++++++---------- 1 file changed, 13 insertions(+), 13 deletions(-) diff --git a/input/kinetics/libraries/Nitrogen_Dean_and_Bozzelli/reactions.py b/input/kinetics/libraries/Nitrogen_Dean_and_Bozzelli/reactions.py index e7d2ac83bd..ee15fc4c8d 100644 --- a/input/kinetics/libraries/Nitrogen_Dean_and_Bozzelli/reactions.py +++ b/input/kinetics/libraries/Nitrogen_Dean_and_Bozzelli/reactions.py @@ -1420,17 +1420,17 @@ PDepArrhenius( pressures = ([0.1, 1, 10], 'atm'), arrhenius = [ - Arrhenius(A=(5.6e+36, '1/s'), n=-7.75, Ea=(70250.4, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(1.8e+40, '1/s'), n=-8.41, Ea=(73390, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(3.1e+41, '1/s'), n=-8.42, Ea=(76043, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(5.6e+36, 's^-1'), n=-7.75, Ea=(70250.4, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(1.8e+40, 's^-1'), n=-8.41, Ea=(73390, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(3.1e+41, 's^-1'), n=-8.42, Ea=(76043, 'cal/mol'), T0=(1, 'K')), ], ), PDepArrhenius( pressures = ([0.1, 1, 10], 'atm'), arrhenius = [ - Arrhenius(A=(1.6e+37, '1/s'), n=-7.94, Ea=(70757, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(2.6e+40, '1/s'), n=-8.53, Ea=(72923, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(1.3e+44, '1/s'), n=-9.22, Ea=(77076, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(1.6e+37, 's^-1'), n=-7.94, Ea=(70757, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(2.6e+40, 's^-1'), n=-8.53, Ea=(72923, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(1.3e+44, 's^-1'), n=-9.22, Ea=(77076, 'cal/mol'), T0=(1, 'K')), ], ), ], @@ -1448,9 +1448,9 @@ kinetics = PDepArrhenius( pressures = ([0.1, 1, 10], 'atm'), arrhenius = [ - Arrhenius(A=(9.2e+38, '1/s'), n=-9.01, Ea=(67726, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(2e+41, '1/s'), n=-9.38, Ea=(68452, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(1.3e+45, '1/s'), n=-10.13, Ea=(70757, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(9.2e+38, 's^-1'), n=-9.01, Ea=(67726, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(2e+41, 's^-1'), n=-9.38, Ea=(68452, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(1.3e+45, 's^-1'), n=-10.13, Ea=(70757, 'cal/mol'), T0=(1, 'K')), ], ), longDesc = @@ -1561,8 +1561,8 @@ PDepArrhenius( pressures = ([0.1, 1, 10], 'atm'), arrhenius = [ - Arrhenius(A=(5.9e+32, '1/s'), n=-6.99, Ea=(51791.1, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(9.6e+35, '1/s'), n=-5.57, Ea=(54841.2, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(5.9e+32, 's^-1'), n=-6.99, Ea=(51791.1, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(9.6e+35, 's^-1'), n=-5.57, Ea=(54841.2, 'cal/mol'), T0=(1, 'K')), Arrhenius( A = (5e+36, 'cm^3/(mol*s)'), n = -7.43, @@ -1574,8 +1574,8 @@ PDepArrhenius( pressures = ([0.1, 1, 10], 'atm'), arrhenius = [ - Arrhenius(A=(7.2e+28, '1/s'), n=-7.77, Ea=(50757.9, 'cal/mol'), T0=(1, 'K')), - Arrhenius(A=(3.2e+31, '1/s'), n=-6.22, Ea=(52318, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(7.2e+28, 's^-1'), n=-7.77, Ea=(50757.9, 'cal/mol'), T0=(1, 'K')), + Arrhenius(A=(3.2e+31, 's^-1'), n=-6.22, Ea=(52318, 'cal/mol'), T0=(1, 'K')), Arrhenius( A = (5.1e+33, 'cm^3/(mol*s)'), n = -6.52,