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Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR) #2352

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Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR) #2352

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5709742
Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR)
msulprizio Jun 26, 2024
6548a8b
Merge 'origin/dev/14.5.0' into bugfix/alk4-chem-brewer2023
msulprizio Jul 25, 2024
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5 changes: 5 additions & 0 deletions CHANGELOG.md
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Expand Up @@ -4,6 +4,11 @@ This file documents all notable changes to the GEOS-Chem repository starting in

The format is based on [Keep a Changelog](https://keepachangelog.com/en/1.0.0/), and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0.html).

## [Unreleased] - TBD
### Added
- Added four new species ALK4N1, ALK4N2, ALK4O2, and ALK4P to address issues in ALK4 and R4N2 chemistry following Brewer et al. (2023, JGR)
- Added ALK4N1 and ALK4N2 to Ox family in KPP

## [14.1.0] - 2023-02-01
### Added
- Added dry deposition updates to Hg0 from Feinberg22 ESPI publication + AMAP emissions
Expand Down
55 changes: 47 additions & 8 deletions KPP/fullchem/fullchem.eqn
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Expand Up @@ -108,6 +108,7 @@ FP : Fabien Paulot; fabien.paulot@noaa.gov
HOTP: Havala Pye; pye.havala@epa.gov
JAF : Jenny Fisher; jennyf@uow.edu.au
JAS : Johan Schmidt; johanalbrechtschmidt@gmail.com
JFB : Jared Brewer; jfbrewer@alumni.stanford.edu
JMAO: Jingqiu Mao; jmao2@alaska.edu
JMM : Jonathan Moch jmoch@g.harvard.edu
JPP : Justin Parrella; justin.parrella@gmail.com
Expand All @@ -134,6 +135,7 @@ REFERENCES (alphabetical order)
* Bates2019: Bates and Jacob, Atmos. Chem. Phys., doi:10.5194/acp-19-9613-2019, 2019.
* Bates2021a: Bates et al, JGR, https://doi.org/10.1029/2020JD033439, 2021.
* Bates2021b: Bates et al, ACP, https://doi.org/10.5194/acp-2021-605, 2021.
* Brewer2023: Brewer et al., JGR, doi:10.1029/2022JD037257, 2023.
* Browne2011: Browne et al., Atmos. Chem. Phys., doi:10.5194/acp-11-4209-2011, 2011.
* Browne2014: Browne et al., Atmos. Chem. Phys., doi:10.5194/acp-14-1225-2014, 2014.
* Chen2017: Chen et al., Geophys. Res. Lett., doi:10.1002/2017GL073812, 2017.
Expand Down Expand Up @@ -191,6 +193,10 @@ ACTA = IGNORE; {CH3C(O)OH; Acetic acid}
AERI = IGNORE; {I; Dissolved iodine}
ALD2 = IGNORE; {CH3CHO; Acetaldehyde}
ALK4 = IGNORE; {>= C4 alkanes}
ALK4N1 = IGNORE; {RO2 from ALKN2}
ALK4N2 = IGNORE; {RO2NO; >= C4 alkylnitrates from ALK4}
ALK4O2 = IGNORE; {RO2 from ALK4}
ALK4P = IGNORE; {CH3CH2CH2CH2OOH; Peroxide from ALK4O2}
AONITA = IGNORE; {Aerosol-phase organic nitrate from aromatic precursors}
AROMRO2 = IGNORE; {generic peroxy radical from aromatic oxidation}
AROMP4 = IGNORE; {Generic C4 product from aromatic oxidation}
Expand Down Expand Up @@ -442,7 +448,7 @@ PRPN = IGNORE; {O2NOCH2CH(OOH)CH3; Peroxide from PRN1}
PYAC = IGNORE; {CH3COCOOH; Pyruvic acid}
R4N1 = IGNORE; {RO2 from R4N2}
R4N2 = IGNORE; {RO2NO; >= C4 alkylnitrates}
R4O2 = IGNORE; {RO2 from ALK4}
R4O2 = IGNORE; {RO2 from >= C4 biogenic organics}
R4P = IGNORE; {CH3CH2CH2CH2OOH; Peroxide from R4O2}
RA3P = IGNORE; {CH3CH2CH2OOH; Peroxide from A3O2}
RB3P = IGNORE; {CH3CH(OOH)CH3; Peroxide from B3O2}
Expand Down Expand Up @@ -585,22 +591,30 @@ C3H8 + OH = A3O2 : GC_TBRANCH_2_acabc(7.60d-12, -585.0
A3O2 + NO = NO2 + HO2 + RCHO : GC_RO2NO_B2_aca(2.90d-12, 350.0d0, 3.0d0); {2019/05/10; Fisher2018; JAF}
A3O2 + NO = NPRNO3 : GC_RO2NO_A2_aca(2.90d-12, 350.0d0, 3.0d0); {2019/05/10; Fisher2018; JAF}
PO2 + NO = NO2 + HO2 + CH2O + ALD2 : GCARR_ac(2.70d-12, 350.0d0);
ALK4 + OH = R4O2 : GCARR_ac(9.10d-12, -405.0d0);
ALK4 + OH = ALK4O2 : GCARR_ac(9.10d-12, -405.0d0); {2023/05/14; Brewer2023; JFB}
ALK4O2 + NO = NO2 + 0.320ACET + 0.190MEK +
0.190MO2 + 0.270HO2 + 0.320ALD2 +
0.140RCHO + 0.050A3O2 + 0.180B3O2 +
0.320OTHRO2 : GC_RO2NO_B2_aca(2.70d-12, 350.0d0, 4.5d0); {2023/05/14; Brewer2023; JFB}
ALK4O2 + NO = ALK4N2 : GC_RO2NO_A2_aca(2.70d-12, 350.0d0, 4.5d0); {2023/05/14; Brewer2023; JFB}
ALK4N1 + NO = 2.000NO2 + 0.570RCHO +
0.860ALD2 + 0.570CH2O : GCARR_ac(2.70d-12, 350.0d0); {2023/05/14; Brewer2023; JFB}
R4O2 + NO = NO2 + 0.320ACET + 0.190MEK +
0.190MO2 + 0.270HO2 + 0.320ALD2 +
0.140RCHO + 0.050A3O2 + 0.180B3O2 +
0.320OTHRO2 : GC_RO2NO_B2_aca(2.70d-12, 350.0d0, 4.5d0); {2017/02/23; ALK4 lumping fix; BHH}
R4O2 + NO = R4N2 : GC_RO2NO_A2_aca(2.70d-12, 350.0d0, 4.5d0);
R4N1 + NO = 2.000NO2 + 0.570RCHO +
0.860ALD2 + 0.570CH2O : GCARR_ac(2.70d-12, 350.0d0); {2017/07/27; Fix C creation; SAS,BHH,MJE}
0.860ALD2+ 0.570CH2O : GCARR_ac(2.70d-12, 350.0d0); {2017/07/27; Fix C creation; SAS,BHH,MJE}
ATO2 + NO = NO2 + CH2O + MCO3 : GCARR_ac(2.80d-12, 300.0d0); {2017/07/27; Fix C creation; SAS,BHH,MJE}
KO2 + NO = 0.930NO2 + 0.930ALD2 +
0.930MCO3 + 0.070R4N2 : GCARR_ac(2.70d-12, 350.0d0);
0.930MCO3 + 0.070ALK4N2 : GCARR_ac(2.70d-12, 350.0d0); {2023/05/14; Brewer2023; JFB}
B3O2 + NO = NO2 + HO2 + ACET : GC_RO2NO_B2_aca(2.70d-12, 360.0d0, 3.0d0); {2019/05/10; Fisher2018; JAF}
B3O2 + NO = IPRNO3 : GC_RO2NO_A2_aca(2.70d-12, 360.0d0, 3.0d0); {2019/05/10; Fisher2018; JAF}
PRN1 + NO = 2.000NO2 + CH2O + ALD2 : GCARR_ac(2.70d-12, 350.0d0);
ALK4 + NO3 = HNO3 + R4O2 : GCARR_ac(2.80d-12, -3280.0d0);
ALK4 + NO3 = HNO3 + ALK4O2 : GCARR_ac(2.80d-12, -3280.0d0); {2023/05/14; Brewer2023; JFB}
R4N2 + OH = R4N1 + H2O : 1.60d-12;
ALK4N2 + OH = ALK4N1 + H2O : 1.60d-12; {2023/05/14; Brewer2023; JFB}
ACTA + OH = MO2 + CO2 + H2O : GCARR_ac(3.15d-14, 920.0d0); {2013/02/12; JPL 10-6; BHH,JMAO,EAM}
OH + RCHO = RCO3 + H2O : GCARR_ac(6.00d-12, 410.0d0);
RCO3 + NO2 {+M} = PPN : GCJPLPR_abab(9.00d-28, 8.9d0, 7.7d-12, 0.2d0, 0.6d0); {JPL Eval 17}
Expand All @@ -616,6 +630,8 @@ PO2 + MO2 = HO2 + 0.500ALD2 + 1.250CH2O +
0.250ROH : 5.92d-13;
R4O2 + HO2 = R4P : GCARR_ac(7.40d-13, 700.0d0);
R4N1 + HO2 = R4N2 : GCARR_ac(7.40d-13, 700.0d0);
ALK4O2 + HO2 = ALK4P : GCARR_ac(7.40d-13, 700.0d0); {2023/05/14; Brewer2023; JFB}
ALK4N1 + HO2 = ALK4N2 : GCARR_ac(7.40d-13, 700.0d0); {2023/05/14; Brewer2023; JFB}
ATO2 + HO2 = 0.150MCO3 + 0.150OH +
0.150CH2O + 0.850ATOOH : GCARR_ac(8.60d-13, 700.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
KO2 + HO2 = 0.150OH + 0.150ALD2 +
Expand All @@ -637,6 +653,15 @@ R4N1 + MO2 = NO2 + 0.200CH2O + 0.380ALD2 +
0.290RCHO + 0.150R4O2 + 0.250RCHO +
0.750CH2O + 0.250MOH + 0.250ROH +
0.500HO2 : 8.37d-14;
ALK4O2 + MO2 = 0.160ACET + 0.100MEK +
0.090MO2 + 0.140HO2 + 0.160ALD2 +
0.070RCHO + 0.030A3O2 + 0.090B3O2 +
0.160OTHRO2 + 0.250MEK + 0.750CH2O +
0.250MOH + 0.250ROH + 0.500HO2 : 8.37d-14; {2023/05/14; Brewer2023; JFB}
ALK4N1 + MO2 = NO2 + 0.200CH2O + 0.380ALD2 +
0.290RCHO + 0.150R4O2 + 0.250RCHO +
0.750CH2O + 0.250MOH + 0.250ROH +
0.500HO2 : 8.37d-14; {2023/05/14; Brewer2023; JFB}
ATO2 + MO2 = 0.300HO2 + 0.300CH2O +
0.300MCO3 + 0.200HAC + 0.200CH2O +
0.500MGLY + 0.500MOH : GCARR_ac(7.50d-13, 500.0d0);
Expand Down Expand Up @@ -694,6 +719,8 @@ RA3P + OH = 0.640OH + 0.360A3O2 +
RB3P + OH = 0.791OH + 0.209B3O2 +
0.791ACET : GCARR_ac(8.78d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
R4P + OH = 0.791OH + 0.209R4O2 + 0.791RCHO : GCARR_ac(8.78d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
ALK4P + OH = 0.791OH + 0.209ALK4O2 +
0.791RCHO : GCARR_ac(8.78d-12, 200.0d0); {2023/05/14; Brewer2023; JFB}
RP + OH = RCO3 : GCARR_ac(6.13d-13, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
PP + OH = 0.791OH + 0.209PO2 + 0.791HAC : GCARR_ac(8.78d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
LVOC + OH = OH : GCARR_ac(4.82d-11, -400.0d0); {2017/06/14; Marais2016; EAM}
Expand All @@ -705,16 +732,23 @@ MCO3 + MO2 = ACTA + CH2O : GCARR_ac(2.00d-13, 500.0d0);
R4O2 + MCO3 = MO2 + 0.320ACET + 0.190MEK +
0.270HO2 + 0.320ALD2 + 0.130RCHO +
0.050A3O2 + 0.180B3O2 + 0.320OTHRO2 : GCARR_ac(1.68d-12, 500.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
ALK4O2 + MCO3 = MO2 + 0.320ACET + 0.190MEK +
0.270HO2 + 0.320ALD2 + 0.130RCHO +
0.050A3O2 + 0.180B3O2 + 0.320OTHRO2 : GCARR_ac(1.68d-12, 500.0d0); {2023/05/14; Brewer2023; JFB}
ATO2 + MCO3 = MO2 + MCO3 + CH2O : GCARR_ac(1.68d-12, 500.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
KO2 + MCO3 = MO2 + ALD2 + MCO3 : GCARR_ac(1.68d-12, 500.0d0);
B3O2 + MCO3 = MO2 + HO2 + ACET : GCARR_ac(1.68d-12, 500.0d0);
R4N1 + MCO3 = MO2 + NO2 + 0.390CH2O +
0.750ALD2 + 0.570RCHO + 0.300R4O2 : GCARR_ac(1.68d-12, 500.0d0);
ALK4N1 + MCO3 = MO2 + NO2 + 0.390CH2O +
0.750ALD2 + 0.570RCHO + 0.300ALK4O2 : GCARR_ac(1.68d-12, 500.0d0); {2023/05/14; Brewer2023; JFB}
PRN1 + MCO3 = MO2 + NO2 + CH2O + ALD2 : GCARR_ac(1.68d-12, 500.0d0);
R4O2 + MCO3 = MEK + ACTA : GCARR_ac(1.87d-13, 500.0d0);
ALK4O2 + MCO3 = MEK + ACTA : GCARR_ac(1.87d-13, 500.0d0); {2023/05/14; Brewer2023; JFB}
ATO2 + MCO3 = MGLY + ACTA : GCARR_ac(1.87d-13, 500.0d0); {2017/07/27; Fix C creation; SAS,BHH,MJE}
KO2 + MCO3 = MEK + ACTA : GCARR_ac(1.87d-13, 500.0d0);
R4N1 + MCO3 = RCHO + ACTA + NO2 : GCARR_ac(1.87d-13, 500.0d0);
ALK4N1 + MCO3 = RCHO + ACTA + NO2 : GCARR_ac(1.87d-13, 500.0d0); {2023/05/14; Brewer2023; JFB}
PRN1 + MCO3 = RCHO + ACTA + NO2 : GCARR_ac(1.87d-13, 500.0d0);
B3O2 + MCO3 = ACET + ACTA : GCARR_ac(1.87d-13, 500.0d0);
MCO3 + ETO2 = MO2 + ALD2 + HO2 : GCARR_ac(1.68d-12, 500.0d0);
Expand Down Expand Up @@ -882,7 +916,7 @@ Cl + C3H8 = HCl + B3O2 : GCARR_ac(6.54d-11, 60.0d0);
Cl + C3H8 = HCl + A3O2 : GCARR_ac(8.12d-11, -90.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ACET = HCl + ATO2 : GCARR_ac(7.70d-11, -1000.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ISOP = HCl + 0.5IHOO1 + 0.5IHOO4 : GCARR_ac(7.60d-11, 500.0d0); {2019/11/06; Sherwen2016b;KHB,TS,JAS,SDE}
Cl + ALK4 = HCl + R4O2 : 2.05d-10; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ALK4 = HCl + ALK4O2 : 2.05d-10; {2023/05/14; Brewer2023; JFB}
Cl + PRPE {+M} = HCl + PO2 {+M} : GCJPLPR_aa(4.00d-28, 2.8d-10, 0.6d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Br + PRPE = HBr + PO2 : 3.60d-12; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I + NO {+M} = INO {+M} : GCJPLPR_aba(1.80d-32, 1.0d0, 1.77d-11, 0.6d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Expand Down Expand Up @@ -1462,8 +1496,8 @@ AROMP5 + OH = 0.6MGLY + 0.15ACTA +
0.33RCO3 + 0.25CO + 0.52RCOOH : 5.0d-11; {2021/09/29; Bates2021b; KHB,MSL}
AROMP5 + O3 = 0.6MGLY + 0.3ACTA + 0.2HCOOH +
0.5CO + 0.95GLYC + 0.1HO2 + 0.1OH : 8.0d-16; {2021/09/29; Bates2021b; KHB,MSL}
AROMP5 = 0.2HO2 + 0.2R4O2 +
0.2MGLY + 1.2RCHO : 1.5d-3; {2021/09/29; Bates2021b; KHB,MSL}
AROMP5 = 0.2HO2 + 0.2ALK4O2 +
0.2MGLY + 1.2RCHO : 1.5d-3; {2021/09/29; Bates2021b; KHB,MSL}{2023/05/14; Brewer2023; JFB}
//
// KHB -- "we still need to include the dummy species for aromatic oxidation
// to make the complex SOA code work. Hopefully this will be changed
Expand Down Expand Up @@ -1629,12 +1663,17 @@ ETP + hv = OH + HO2 + ALD2 : PHOTOL(80);
RA3P + hv = OH + HO2 + RCHO : PHOTOL(81);
RB3P + hv = OH + HO2 + ACET : PHOTOL(82);
R4P + hv = OH + HO2 + RCHO : PHOTOL(83);
ALK4P + hv = OH + HO2 + RCHO : PHOTOL(83); {2023/05/14; Brewer2023; JFB}
PP + hv = OH + HO2 + ALD2 + CH2O : PHOTOL(84);
RP + hv = OH + HO2 + ALD2 : PHOTOL(85);
R4N2 + hv = NO2 + 0.320ACET + 0.190MEK +
0.180MO2 + 0.270HO2 + 0.320ALD2 +
0.130RCHO + 0.050A3O2 + 0.180B3O2 +
0.320OTHRO2 : PHOTOL(98);
ALK4N2 + hv = NO2 + 0.320ACET + 0.190MEK +
0.180MO2 + 0.270HO2 + 0.320ALD2 +
0.130RCHO + 0.050A3O2 + 0.180B3O2 +
0.320OTHRO2 : PHOTOL(98); {2023/05/14; Brewer2023; JFB}
MAP + hv = OH + MO2 : PHOTOL(99);
Br2 + hv = 2.000Br : PHOTOL(23); {2012/06/07; Parrella2012; JPP}
BrO + hv = Br + O : PHOTOL(28); {2014/02/03; Eastham2014; SDE}
Expand Down
4 changes: 2 additions & 2 deletions KPP/fullchem/fullchem.kpp
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Expand Up @@ -11,8 +11,8 @@
#INCLUDE fullchem.eqn { Chemical reactions for fullchem mechanism }

#FAMILIES { Chemical families for prod/loss diagnostic }
POx : O3 + NO2 + 2NO3 + PAN + PPN + MPAN + HNO4 + 3N2O5 + HNO3 + BrO + HOBr + BrNO2 + 2BrNO3 + MPN + ETHLN + MVKN + MCRHN + MCRHNB + PROPNN + R4N2 + PRN1 + PRPN + R4N1 + HONIT + MONITS + MONITU + OLND + OLNN + IHN1 + IHN2 + IHN3 + IHN4 + INPB + INPD + ICN + 2IDN + ITCN + ITHN + ISOPNOO1 + ISOPNOO2 + INO2B + INO2D + INA + IDHNBOO + IDHNDOO1 + IDHNDOO2 + IHPNBOO + IHPNDOO + ICNOO + 2IDNOO + MACRNO2 + ClO + HOCl + ClNO2 + 2ClNO3 + 2Cl2O2 + 2OClO + O + O1D + IO + HOI + IONO + 2IONO2 + 2OIO + 2I2O2 + 3I2O3 + 4I2O4;
LOx : O3 + NO2 + 2NO3 + PAN + PPN + MPAN + HNO4 + 3N2O5 + HNO3 + BrO + HOBr + BrNO2 + 2BrNO3 + MPN + ETHLN + MVKN + MCRHN + MCRHNB + PROPNN + R4N2 + PRN1 + PRPN + R4N1 + HONIT + MONITS + MONITU + OLND + OLNN + IHN1 + IHN2 + IHN3 + IHN4 + INPB + INPD + ICN + 2IDN + ITCN + ITHN + ISOPNOO1 + ISOPNOO2 + INO2B + INO2D + INA + IDHNBOO + IDHNDOO1 + IDHNDOO2 + IHPNBOO + IHPNDOO + ICNOO + 2IDNOO + MACRNO2 + ClO + HOCl + ClNO2 + 2ClNO3 + 2Cl2O2 + 2OClO + O + O1D + IO + HOI + IONO + 2IONO2 + 2OIO + 2I2O2 + 3I2O3 + 4I2O4;
POx : O3 + NO2 + 2NO3 + PAN + PPN + MPAN + HNO4 + 3N2O5 + HNO3 + BrO + HOBr + BrNO2 + 2BrNO3 + MPN + ETHLN + MVKN + MCRHN + MCRHNB + PROPNN + R4N2 + ALK4N2 + PRN1 + PRPN + R4N1 + ALK4N1 + HONIT + MONITS + MONITU + OLND + OLNN + IHN1 + IHN2 + IHN3 + IHN4 + INPB + INPD + ICN + 2IDN + ITCN + ITHN + ISOPNOO1 + ISOPNOO2 + INO2B + INO2D + INA + IDHNBOO + IDHNDOO1 + IDHNDOO2 + IHPNBOO + IHPNDOO + ICNOO + 2IDNOO + MACRNO2 + ClO + HOCl + ClNO2 + 2ClNO3 + 2Cl2O2 + 2OClO + O + O1D + IO + HOI + IONO + 2IONO2 + 2OIO + 2I2O2 + 3I2O3 + 4I2O4;
LOx : O3 + NO2 + 2NO3 + PAN + PPN + MPAN + HNO4 + 3N2O5 + HNO3 + BrO + HOBr + BrNO2 + 2BrNO3 + MPN + ETHLN + MVKN + MCRHN + MCRHNB + PROPNN + R4N2 + ALK4N2 + PRN1 + PRPN + R4N1 + ALK4N1 + HONIT + MONITS + MONITU + OLND + OLNN + IHN1 + IHN2 + IHN3 + IHN4 + INPB + INPD + ICN + 2IDN + ITCN + ITHN + ISOPNOO1 + ISOPNOO2 + INO2B + INO2D + INA + IDHNBOO + IDHNDOO1 + IDHNDOO2 + IHPNBOO + IHPNDOO + ICNOO + 2IDNOO + MACRNO2 + ClO + HOCl + ClNO2 + 2ClNO3 + 2Cl2O2 + 2OClO + O + O1D + IO + HOI + IONO + 2IONO2 + 2OIO + 2I2O2 + 3I2O3 + 4I2O4;
PCO : CO;
LCO : CO;
PSO4 : SO4;
Expand Down
40 changes: 39 additions & 1 deletion run/shared/species_database.yml
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Expand Up @@ -136,6 +136,44 @@ ALK4:
Is_Advected: true
Is_Gas: true
MW_g: 58.12
ALK4N1:
Formula: C4H8NO5
FullName: Peroxy radical from ALK4N2
Is_Gas: true
MW_g: 150.13
ALK4N2:
DD_F0: 1.0
DD_Hstar: 1.7e+4
Formula: RO2NO
FullName: Lumped alkyl nitrate from ALK4
Henry_CR: 5800.0
Henry_K0: 1.0
Is_Advected: true
Is_DryDep: true
Is_Gas: true
Is_Photolysis: true
Is_WetDep: true
MW_g: 119.10
WD_RetFactor: 2.0e-2
ALK4O2:
Formula: C4H9O2
FullName: Peroxy radical from ALK4
Is_Gas: true
MW_g: 89.13
ALK4P:
DD_F0: 1.0
DD_Hstar: 2.94e+2
Formula: CH3CH2CH2CH2OOH
FullName: Peroxide from ALK4O2
Henry_CR: 5200.0
Henry_K0: 2.94e+2
Is_Advected: true
Is_DryDep: true
Is_Gas: true
Is_Photolysis: true
Is_WetDep: true
MW_g: 90.14
WD_RetFactor: 2.0e-2
AONITA:
DD_F0: 1.0
DD_Hstar: 2.9e+3
Expand Down Expand Up @@ -4097,7 +4135,7 @@ R4N2:
WD_RetFactor: 2.0e-2
R4O2:
Formula: C4H9O2
FullName: Peroxy radical from ALK4
FullName: Peroxy radical from isoprene and MTPA alkyl generation
Is_Gas: true
MW_g: 89.13
R4P:
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