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add reaction rate updates as suggested by Eric Fleming
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Christoph Keller committed Oct 10, 2023
1 parent dbc588d commit 2d6db44
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2 changes: 1 addition & 1 deletion KPP/build_mechanism.sh
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Expand Up @@ -96,7 +96,7 @@ rm -f *.o *.mod *.a
# Build the mechanism!
#============================================================================
if [[ -f gckpp.kpp ]]; then
kpp gckpp.kpp
/discover/nobackup/mslong1/KPP/KPP/bin/kpp gckpp.kpp
else
echo "Could not find the 'gckpp.kpp' file... Aborting!"
exit 1
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59 changes: 30 additions & 29 deletions KPP/fullchem/fullchem.eqn
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Expand Up @@ -95,6 +95,7 @@ CDH : Christopher Holmes; [email protected]
DBM : Dylan Millet [email protected]
EAM : Eloise Marais; [email protected]
ECB : Ellie Browne [email protected]
ELF : Eric Fleming; [email protected]
EVF : Emily Fischer; [email protected]
EWL : Lizzie Lundgren; [email protected]
FP : Fabien Paulot; [email protected]
Expand Down Expand Up @@ -749,8 +750,8 @@ O1D + H2O = 2.000OH : GCARR_ac(1.63d-10, 60.0d0);
O1D + N2 = O + N2 : GCARR_ac(2.15d-11, 110.0d0); {2014/02/03; Eastham2014; SDE}
O1D + O2 = O + O2 : GCARR_ac(3.30d-11, 55.0d0); {2014/02/03; Eastham2014; SDE}
O1D + H2 = H + OH : 1.20d-10; {2014/02/03; Eastham2014; SDE}
O1D + N2O = N2 + O2 : GCARR_ac(4.63d-11, 20.0d0); {2014/02/03; Eastham2014; SDE}
O1D + N2O = 2.000NO : GCARR_ac(7.25d-11, 20.0d0); {2014/02/03; Eastham2014; SDE}
O1D + N2O = N2 + O2 : GCARR_ac(4.64d-11, 20.0d0); {2018/06/21; JPL 15-10; ELF}
O1D + N2O = 2.000NO : GCARR_ac(7.26d-11, 20.0d0); {2018/06/21; JPL 15-10; ELF}
O1D + CH4 = MO2 + OH : 1.31d-10; {2014/02/03; Eastham2014; SDE}
O1D + CH4 = CH2O + H2 : 0.09d-10; {2014/02/03; Eastham2014; SDE}
O1D + CH4 = CH2O + H + HO2 : 0.35d-10; {2014/02/03; Eastham2014; SDE}
Expand Down Expand Up @@ -778,45 +779,45 @@ N + NO = N2 + O : GCARR_ac(2.10d-11, 100.0d0);
N + NO2 = N2O + O : GCARR_ac(5.80d-12, 220.0d0); {2014/02/03; Eastham2014; SDE}
BrO + O = Br + O2 : GCARR_ac(1.90d-11, 230.0d0); {2014/02/03; Eastham2014; SDE}
CH2O + O = CO + HO2 + OH : GCARR_ac(3.40d-11, -1600.0d0); {2014/02/03; Eastham2014; SDE}
O1D + HCl = 0.090O + 0.090HCl + 0.240H +
0.670Cl + 0.240ClO + 0.670OH : 1.50d-10; {2014/02/03; Eastham2014; SDE}
O1D + HBr = 0.200O + 0.200HBr + 0.150BrO +
0.650OH + 0.150H + 0.650Br : 1.50d-10; {2014/02/03; Eastham2014; SDE}
O1D + HCl = 0.120O + 0.120HCl + 0.220H +
0.660Cl + 0.240ClO + 0.670OH : 1.50d-10; {2018/06/21; JPL 15-10; ELF}
O1D + HBr = 0.200O + 0.200HBr + 0.200BrO +
0.600OH + 0.200H + 0.600Br : 1.50d-10; {2018/06/21; JPL 15-10; ELF}
O1D + Cl2 = 0.250O + 0.250Cl2 + 0.750Cl +
0.750ClO : 2.70d-10; {2014/02/03; Eastham2014; SDE}
O1D + CCl4 = 0.140O + 0.140CCl4 +
0.860ClO + 2.580Cl : 3.30d-10; {2014/02/03; Eastham2014; SDE}
O1D + CCl4 = 0.210O + 0.210CCl4 +
0.790ClO + 2.370Cl : 3.30d-10; {2018/06/21; JPL 15-10; ELF}
O1D + CH3Br = 0.440BrO + MO2 + 0.560Br : 1.80d-10; {2014/02/03; Eastham2014; SDE}
O1D + CH2Br2 = 0.050O + 0.050CH2Br2 +
0.950BrO + 0.950Br : 2.70d-10; {2014/02/03; Eastham2014; SDE}
O1D + CHBr3 = 0.320O + 0.320CHBr3 +
0.680BrO + 1.360Br : 6.60d-10; {2014/02/03; Eastham2014; SDE}
O1D + HCFC22 = 0.280O + 0.280HCFC22 +
0.550ClO + 0.170Cl : 1.02d-10; {2017/02/22; JPL 15-10; BHH,MJE}
O1D + CFC11 = 0.120O + 0.120CFC11 +
0.880ClO + 1.760Cl : 2.30d-10; {2014/02/03; Eastham2014; SDE}
O1D + CHBr3 = 0.300O + 0.300CHBr3 +
0.700BrO + 1.400Br : 6.60d-10; {2018/06/21; JPL 15-10; ELF}
O1D + HCFC22 = 0.250O + 0.250HCFC22 +
0.560ClO + 0.190Cl : 1.02d-10; {2017/02/22; JPL 15-10; BHH,MJE,ELF}
O1D + CFC11 = 0.100O + 0.100CFC11 +
0.900ClO + 1.800Cl : 2.30d-10; {2018/06/21; JPL 15-10; ELF}
O1D + CFC12 = 0.140O + 0.140CFC12 +
0.860ClO + 0.860Cl : 1.40d-10; {2014/02/03; Eastham2014; SDE}
O1D + H1211 = 0.360O + 0.360H1211 +
0.310BrO + 0.310Cl + 0.330Br + 0.330ClO : 1.50d-10; {2014/02/03; Eastham2014; SDE}
0.860ClO + 0.860Cl : 1.40d-10; {2018/06/21; JPL 15-10; ELF}
O1D + H1211 = 0.350O + 0.350H1211 +
0.310BrO + 0.310Cl + 0.340Br + 0.340ClO : 1.50d-10; {2018/06/21; JPL 15-10; ELF}
O1D + H1301 = 0.590O + 0.590H1301 +
0.410BrO : 1.00d-10; {2014/02/03; Eastham2014; SDE}
O1D + HCFC141b = 0.310O + 0.310HCFC141b +
0.690ClO + 0.690Cl : 2.60d-10; {2014/02/03; Eastham2014; SDE}
O1D + HCFC142b = 0.260O + 0.260HCFC142b +
0.740ClO : 2.00d-10; {2017/02/22; JPL 15-10; BHH,MJE}
O1D + HCFC142b = 0.350O + 0.350HCFC142b +
0.650ClO : 2.00d-10; {2017/02/22; JPL 15-10; BHH,MJE,ELF}
O1D + HCFC123 = 0.210O + 0.210HCFC123 +
0.790Cl + 0.790ClO : 2.00d-10; {2014/02/03; Eastham2014; SDE}
O1D + CFC113 = 0.250O + 0.250CFC113 +
1.500Cl + 0.750ClO : 2.32d-10; {2017/02/22; JPL 15-10; BHH,MJE}
O1D + CFC114 = 0.250O + 0.250CFC114 +
0.750Cl + 0.750ClO : GCARR_ac(1.30d-10, -25.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
O1D + CFC115 = 0.700O + 0.700CFC115 +
0.300ClO : GCARR_ac(5.40d-11, -30.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
O1D + CFC113 = 0.100O + 0.100CFC113 +
1.800Cl + 0.900ClO : 2.32d-10; {2017/02/22; JPL 15-10; BHH,MJE,ELF}
O1D + CFC114 = 0.100O + 0.100CFC114 +
0.900Cl + 0.900ClO : GCARR_ac(1.30d-10, 25.0d0); {2017/02/22; JPL 15-10; BHH,MJE,ELF}
O1D + CFC115 = 0.140O + 0.140CFC115 +
0.860ClO : GCARR_ac(5.40d-11, 30.0d0); {2017/02/22; JPL 15-10; BHH,MJE,ELF}
O1D + H2402 = 0.250O + 0.250H2402 +
0.750Br + 0.750BrO : GCARR_ac(1.60d-10, 0.0d0); {2014/02/03; Eastham2014; SDE}
OH + Cl2 = HOCl + Cl : GCARR_ac(2.60d-12, -1100.0d0); {2014/02/03; Eastham2014; SDE}
MO2 + ClO = ClOO + HO2 + CH2O : GCARR_ac(1.80d-11, -600.0d0); {2017/03/20; JPL 15-10; TS,BHH,MJE}
MO2 + ClO = ClOO + HO2 + CH2O : GCARR_ac(1.80d-12, -600.0d0); {2017/03/20; JPL 15-10; TS,BHH,MJE,ELF}
OH + ClO = HO2 + Cl : GCARR_ac(7.40d-12, 270.0d0); {2014/02/03; Eastham2014; SDE}
OH + ClO = HCl + O2 : GCARR_ac(6.00d-13, 230.0d0); {2014/02/03; Eastham2014; SDE}
OH + OClO = HOCl + O2 : GCARR_ac(1.40d-12, 600.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
Expand Down Expand Up @@ -858,7 +859,7 @@ ClO + BrO = Br + ClOO : GCARR_ac(2.30d-12, 260.0d0);
ClO + BrO = BrCl + O2 : GCARR_ac(4.10d-13, 290.0d0); {2014/02/03; Eastham2014; SDE}
ClNO3 + O = ClO + NO3 : GCARR_ac(3.60d-12, -840.0d0); {2014/02/03; Eastham2014; SDE}
ClNO3 + Cl = Cl2 + NO3 : GCARR_ac(6.50d-12, 135.0d0); {2014/02/03; Eastham2014; SDE}
CH3Cl + Cl = CO + 2.000HCl + HO2 : GCARR_ac(2.17d-11, -1130.0d0); {2014/02/03; Eastham2014; SDE}
CH3Cl + Cl = CO + 2.000HCl + HO2 : GCARR_ac(2.03d-11, -1110.0d0); {2018/06/21; JPL 15-10; ELF}
CH2Cl2 + Cl = CO + HCl + 2.000Cl + HO2 : GCARR_ac(1.24d-12, -1070.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
CHCl3 + Cl = CO + HCl + 3.000Cl + HO2 : GCARR_ac(3.77d-12, -1011.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + HCOOH = HCl + CO2 + H2O : 2.00d-13; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Expand Down Expand Up @@ -1655,8 +1656,8 @@ CFC113 + hv = 3.000Cl : PHOTOL(39); {2014/02/03; Eastha
CFC114 + hv = 2.000Cl : PHOTOL(40); {2014/02/03; Eastham2014; SDE}
CFC115 + hv = Cl : PHOTOL(41); {2014/02/03; Eastham2014; SDE}
HCFC123 + hv = 2.000Cl : PHOTOL(47); {2014/02/03; Eastham2014; SDE}
HCFC141b + hv = 2.000Cl : PHOTOL(48); {2014/02/03; Eastham2014; SDE}
HCFC142b + hv = Cl : PHOTOL(49); {2014/02/03; Eastham2014; SDE}
HCFC141b + hv = 1.000Cl : PHOTOL(48); {2018/06/21; JPL 15-10; ELF}
HCFC142b + hv = 1.000Cl : PHOTOL(49); {2018/06/21; JPL 15-10; ELF}
HCFC22 + hv = Cl : PHOTOL(46); {2014/02/03; Eastham2014; SDE}
H1301 + hv = Br : PHOTOL(53); {2014/02/03; Eastham2014; SDE}
H1211 + hv = Cl + Br : PHOTOL(51); {2014/02/03; Eastham2014; SDE}
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