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Corrected s^-1 units in N_D&B kinetic family
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Should be `s^-1`, not `1/s`.
The latter results in a `KeyError: '1/s'` when these reactions are
searched for on the website
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alongd authored and mjohnson541 committed May 1, 2018
1 parent a5fbbab commit e1b6feb
Showing 1 changed file with 13 additions and 13 deletions.
26 changes: 13 additions & 13 deletions input/kinetics/libraries/Nitrogen_Dean_and_Bozzelli/reactions.py
Original file line number Diff line number Diff line change
Expand Up @@ -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')),
],
),
],
Expand All @@ -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 =
Expand Down Expand Up @@ -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,
Expand All @@ -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,
Expand Down

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