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Bug fix: Reorder photo rxns for PNs and ANs (from PR #2318) #2452

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Sep 6, 2024
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Bug fix: Reorder photo rxns for PNs and ANs (from PR #2318) #2452

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3 changes: 3 additions & 0 deletions CHANGELOG.md
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Expand Up @@ -36,6 +36,9 @@ The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/),
- In the mass conservation adjustment in `vdiff_mod.F90`, use a mass tendency with units of `kg species/kg dry air`.
- In `vdiff_mod.F90`, convert the top pressure edge from hPa to Pa.
- PPN is now correctly listed with `Is_Photolysis: true` in the species database
- Changed PPN photolysis reaction rate constant to `PHOTOL(167)`
- Changed photolysis reactions from Travis et al (2024) rate constnats
to`PHOTOL(168:177)`

## [14.4.3] - 2024-08-13
### Added
Expand Down
29 changes: 15 additions & 14 deletions KPP/custom/custom.eqn
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Expand Up @@ -21,6 +21,7 @@ DEVELOPERS (initials and email/GitHub)
===============================================================================

* BA : Becky Alexander : @beckyalexander
* BH : Rebekah (Bex) Horner : @bexhorner
* BHH : Barron Henderson : @barronh
* BMY : Bob Yantosca : @yantosca
* CCM : Christopher Chan Miller : [email protected]
Expand Down Expand Up @@ -1546,7 +1547,7 @@ NRO2 + HO2 = LNRO2H + HO2 : GCARR_ac(1.40d-12, 700.0d0);
NRO2 + NO = LNRO2N + NO : GCARR_ac(2.60d-12, 350.0d0); {2013/08/12; Pye2010; HOTP}
//
// --- RCOOH chemistry (KRT)
RCOOH + OH = ETO2 + CO2 + H2O : 1.20d-12; {2022/10/22; krt}
RCOOH + OH = ETO2 + CO2 + H2O : 1.20d-12; {2024/08/20; Travis2024; KRT}
//
// ----- STYR/EBZ/TMB chemistry (Bates et al., 2021)
STYR + OH = 0.300ZRO2 + 0.700AROMRO2 +
Expand Down Expand Up @@ -2010,21 +2011,21 @@ BZCO3H + hv = BENZO2 + OH + CO2 : PHOTOL(164); {2021/09/29; Bates2
BENZP + hv = BENZO : PHOTOL(165); {2021/09/29; Bates2021b; KHB,MSL}
NPHEN + hv = HNO2 + CO +
CO2 + AROMP4 + HO2 : PHOTOL(166); {2021/09/29; Bates2021b; KHB,MSL}
APINP + hv = PINAL + OH + HO2 : PHOTOL(167) ; {use the same as }
PINAL + hv = CO + HO2 + C96O2 : PHOTOL(168) ;
PINO3H + hv = OH + CO2 + C96O2 : PHOTOL(169) ;
PINONIC + hv = OH + CO2 + C96O2 : PHOTOL(170) ;
PPN + hv = 0.700RCO3 + 0.700NO2 +
0.300NO3 : PHOTOL(167); {2024/07/11; Horner2024, BH}
APINP + hv = PINAL + OH + HO2 : PHOTOL(168); {2024/08/20; Travis2024; KRT}
PINAL + hv = CO + HO2 + C96O2 : PHOTOL(169); {2024/08/20; Travis2024; KRT}
PINO3H + hv = OH + CO2 + C96O2 : PHOTOL(170); {2024/08/20; Travis2024; KRT}
PINONIC + hv = OH + CO2 + C96O2 : PHOTOL(171); {2024/08/20; Travis2024; KRT}
C96O2H + hv = OH + AROMRO2 + ACET +
CH2O + RCO3 + 0.5MEK : PHOTOL(171) ;
BPINP + hv = OH + CH2O + HO2 + BPINO : PHOTOL(172) ;
CH2O + RCO3 + 0.5MEK : PHOTOL(172); {2024/08/20; Travis2024; KRT}
BPINP + hv = OH + CH2O + HO2 + BPINO : PHOTOL(173); {2024/08/20; Travis2024; KRT}
BPINOOH + hv = OH + HO2 + 0.27LIMO3 +
0.6ACET + 0.6RCHO + 0.6R4O2 : PHOTOL(173) ;
0.6ACET + 0.6RCHO + 0.6R4O2 : PHOTOL(174); {2024/08/20; Travis2024; KRT}
LIMO3H + hv = OH + CO2 + MCO3 + RCHO +
0.4CH2O + 0.8R4O2 : PHOTOL(174) ;
0.4CH2O + 0.8R4O2 : PHOTOL(175); {2024/08/20; Travis2024; KRT}
LIMO2H + hv = OH + CO2 + MCO3 + RCHO +
0.4CH2O + 0.8R4O2 : PHOTOL(175) ;
0.4CH2O + 0.8R4O2 : PHOTOL(176); {2024/08/20; Travis2024; KRT}
PIP + hv = OH + HO2 + 0.450MVK + 0.45ACET +
0.100CH2O + 0.675MYRCO : PHOTOL(105) ;
LIMAL + hv = CO + HO2 + 0.900LIMO3 : PHOTOL(176) ;
PPN + hv = 0.700RCO3 + 0.700NO2 +
0.300NO3 : PHOTOL(167); {2024/07/11; Horner2024}
0.100CH2O + 0.675MYRCO : PHOTOL(105); {2024/08/20; Travis2024; KRT}
LIMAL + hv = CO + HO2 + 0.900LIMO3 : PHOTOL(177); {2024/08/20; Travis2024; KRT}
29 changes: 15 additions & 14 deletions KPP/fullchem/fullchem.eqn
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Expand Up @@ -21,6 +21,7 @@ DEVELOPERS (initials and email/GitHub)
===============================================================================

* BA : Becky Alexander : @beckyalexander
* BH : Rebekah (Bex) Horner : @bexhorner
* BHH : Barron Henderson : @barronh
* BMY : Bob Yantosca : @yantosca
* CCM : Christopher Chan Miller : [email protected]
Expand Down Expand Up @@ -1546,7 +1547,7 @@ NRO2 + HO2 = LNRO2H + HO2 : GCARR_ac(1.40d-12, 700.0d0);
NRO2 + NO = LNRO2N + NO : GCARR_ac(2.60d-12, 350.0d0); {2013/08/12; Pye2010; HOTP}
//
// --- RCOOH chemistry (KRT)
RCOOH + OH = ETO2 + CO2 + H2O : 1.20d-12; {2022/10/22; krt}
RCOOH + OH = ETO2 + CO2 + H2O : 1.20d-12; {2024/08/20; Travis2024; KRT}
//
// ----- STYR/EBZ/TMB chemistry (Bates et al., 2021)
STYR + OH = 0.300ZRO2 + 0.700AROMRO2 +
Expand Down Expand Up @@ -2010,21 +2011,21 @@ BZCO3H + hv = BENZO2 + OH + CO2 : PHOTOL(164); {2021/09/29; Bates2
BENZP + hv = BENZO : PHOTOL(165); {2021/09/29; Bates2021b; KHB,MSL}
NPHEN + hv = HNO2 + CO +
CO2 + AROMP4 + HO2 : PHOTOL(166); {2021/09/29; Bates2021b; KHB,MSL}
APINP + hv = PINAL + OH + HO2 : PHOTOL(167) ; {use the same as }
PINAL + hv = CO + HO2 + C96O2 : PHOTOL(168) ;
PINO3H + hv = OH + CO2 + C96O2 : PHOTOL(169) ;
PINONIC + hv = OH + CO2 + C96O2 : PHOTOL(170) ;
PPN + hv = 0.700RCO3 + 0.700NO2 +
0.300NO3 : PHOTOL(167); {2024/07/11; Horner2024, BH}
APINP + hv = PINAL + OH + HO2 : PHOTOL(168); {2024/08/20; Travis2024; KRT}
PINAL + hv = CO + HO2 + C96O2 : PHOTOL(169); {2024/08/20; Travis2024; KRT}
PINO3H + hv = OH + CO2 + C96O2 : PHOTOL(170); {2024/08/20; Travis2024; KRT}
PINONIC + hv = OH + CO2 + C96O2 : PHOTOL(171); {2024/08/20; Travis2024; KRT}
C96O2H + hv = OH + AROMRO2 + ACET +
CH2O + RCO3 + 0.5MEK : PHOTOL(171) ;
BPINP + hv = OH + CH2O + HO2 + BPINO : PHOTOL(172) ;
CH2O + RCO3 + 0.5MEK : PHOTOL(172); {2024/08/20; Travis2024; KRT}
BPINP + hv = OH + CH2O + HO2 + BPINO : PHOTOL(173); {2024/08/20; Travis2024; KRT}
BPINOOH + hv = OH + HO2 + 0.27LIMO3 +
0.6ACET + 0.6RCHO + 0.6R4O2 : PHOTOL(173) ;
0.6ACET + 0.6RCHO + 0.6R4O2 : PHOTOL(174); {2024/08/20; Travis2024; KRT}
LIMO3H + hv = OH + CO2 + MCO3 + RCHO +
0.4CH2O + 0.8R4O2 : PHOTOL(174) ;
0.4CH2O + 0.8R4O2 : PHOTOL(175); {2024/08/20; Travis2024; KRT}
LIMO2H + hv = OH + CO2 + MCO3 + RCHO +
0.4CH2O + 0.8R4O2 : PHOTOL(175) ;
0.4CH2O + 0.8R4O2 : PHOTOL(176); {2024/08/20; Travis2024; KRT}
PIP + hv = OH + HO2 + 0.450MVK + 0.45ACET +
0.100CH2O + 0.675MYRCO : PHOTOL(105) ;
LIMAL + hv = CO + HO2 + 0.900LIMO3 : PHOTOL(176) ;
PPN + hv = 0.700RCO3 + 0.700NO2 +
0.300NO3 : PHOTOL(167); {2024/07/11; Horner2024}
0.100CH2O + 0.675MYRCO : PHOTOL(105); {2024/08/20; Travis2024; KRT}
LIMAL + hv = CO + HO2 + 0.900LIMO3 : PHOTOL(177); {2024/08/20; Travis2024; KRT}
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