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fullchem.eqn
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{ fullchem.eqn
-------------------------------------------------------------------------------
DESCRIPTION
-------------------------------------------------------------------------------
GEOS-Chem KPP file containing species and equations for the full chemistry
(NOx-Ox-HC-Aer-Br-Cl-I) mechanism.
===============================================================================
FILE HISTORY
===============================================================================
Version: 14.5.0
Please see "CHANGELOG_fullchem.md" in this folder for the revision history
of the fullchem mechanism.
===============================================================================
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]
* CDH : Christopher Holmes : @cdholmes
* DBM : Dylan Millet : @dylanbm
* EAM : Eloise Marais : @eamarais
* ECB : Ellie Browne : [email protected]
* EVF : Emily Fischer : [email protected]
* EWL : Lizzie Lundgren : @lizziel
* FP : Fabien Paulot : [email protected]
* HOTP : Havala Pye : [email protected]
* JAF : Jenny Fisher : @jennyfisher
* JAS : Johan Schmidt : [email protected]
* JFB : Jared Brewer : @JFBrewer
* JMAO : Jingqiu Mao : @jingqiumao
* JMM : Jonathan Moch : [email protected]
* JPP : Justin Parrella : [email protected]
* KHB : Kelvin Bates : @kelvinhb
* KRT : Katie Travis : @ktravis213
* LZHU : Lei Zhu : [email protected]
* MJE : Mat Evans : @msl3v
* MPS : Melissa Sulprizio : @msulprizio
* MSL : Michael Long : @msl3v
* PK : Prasad Kasibhatla : @pkasibhatla
* QJC : Qianjie Chen : [email protected]
* RHS : Rebecca Schwantes : [email protected]
* SAS : Sarah Safieddine : [email protected]
* SDE : Sebastian Eastham : @sdeastham
* TMS : Tomas Sherwen : @tsherwen
* TSC : Therese Carter : @tscarter
* XC : Xin Chen : @xin-chen-github
* XW : Xuan Wang : @xuanw0316
===============================================================================
REFERENCES (alphabetical order)
===============================================================================
* Atkinson2003 : https://doi.org/10.1021/cr0206420
* Atkinson2006 : https://doi.org/10.5194/acp-6-3625-2006
* Bates2014 : https://doi.org/10.1021/jp4107958
* Bates2019 : https://doi.org/10.5194/acp-19-9613-2019
* Bates2021a : https://doi.org/10.1029/2020JD033439
* Bates2021b : https://doi.org/10.5194/acp-2021-605
* Brewer2023 : https://doi.org/10.1029/2022JD037257
* Browne2011 : https://doi.org/10.5194/acp-11-4209-2011
* Browne2014 : https://doi.org/10.5194/acp-14-1225-2014
* Carter2022 : https://doi.org/10.5194/acp-22-12093-2022
* Chen2017 : https://doi.org/10.1002/2017GL073812
* Crounse2012 : https://doi.org/10.1021/jp211560u
* Eastham2014 : https://doi.org/10.1016/j.atmosenv.2014.02.001
* Fischer2014 : https://doi.org/10.5194/acp-14-2679-2014
* Fisher2016 : https://doi.org/10.5194/acp-16-5969-2016
* Fisher2018 : https://doi.org/10.1029/2018JD029046
* Fry2014 : https://doi.org/10.1021/es502204x
* Gill2002 : https://doi.org/10.1021/jp013532, 2002.
* Goliff2013 : https://doi.org/10.1016/j.atmosenv.2012.11.038
* Jacobs2014 : https://doi.org/10.5194/acp-14-8933-2014
* Jenkin2015 : https://doi.org/10.5194/acp-15-11433-2015
* Kasibhatla2018 : https://doi.org/10.5194/acp-18-11185-2018
* IUPAC ROO_19 : https://iupac-aeris.ipsl.fr/htdocs/datasheets/pdf/ROO_19_CH3O2_NO3.pdf
* JPL 10-6 : https://jpldataeval.jpl.nasa.gov/previous_evaluations.html
* JPL 15-10 : https://jpldataeval.jpl.nasa.gov/previous_evaluations.html
* JPL 19-5 : https://jpldataeval.jpl.nasa.gov
* Kwon2020 : https://doi.org/10.1525/elementa.2021.00109
* Lee2014 : https://doi.org/10.1021/jp4107603
* Marais2016 : https://doi.org/10.5194/acp-16-1603-2016
* MCMv3.3 : https://mcm.york.ac.uk/MCM/
* Miller2017 : https://doi.org/10.5194/acp-2016-1042
* Millet2015 : https://doi.org/10.5194/acp-15-6283-2015
* Moch2020 : https;//doi.org/10.1029/2020JD032706, 2020.
* Muller2014 : https://doi.org/10.5194/acp-14-2497-2014
* Parrella2012 : https://doi.org/10.5194/acp-12-6723-2012
* Paulot2009 : https://doi.org/10.5194/acp-9-1479-2009 and
https://doi.org/10.1126/science.1172910
* Peeters2010 : https://doi.org/10.1039/C0CP00811G
* Peeters2014 : https://doi.org/10.1021/jp5033146.
* Pye2010 : https://doi.org/10.5194/acp-10-11261-2010
* Roberts1992 : https://doi.org/10.1002/kin.550240307
* Sherwen2016b : https://doi.org/10.5194/acp-16-12239-2016
* Sherwen2017 : https://doi.org/10.1039/C7FD00026J
* StClair2016 : https://doi.org/10.1021/acs.jpca.5b065322016
* Travis2016 : https://doi.org/10.5194/acp-16-13561-2016
* Travis2024 : https://doi.org/10.5194/egusphere-2024-951
* Wolfe2012 : https://doi.org/ 10.1039/C2CP40388A, 2012
* Xie2013 : https://doi.org/10.5194/acp-13-8439-2013
===============================================================================
NOTES
===============================================================================
Comment format is
Species - Molecular formula; full name
Equations - Date modified; Reference; Developer initials
}
#include atoms.kpp
#DEFVAR
A3O2 = IGNORE; {CH3CH2CH2OO; Primary RO2 from C3H8}
ACR = IGNORE; {C3H4O, Acrolein}
ACRO2 = IGNORE; {C3H5O4}
ACO3 = IGNORE; {C3H3O3}
ACET = IGNORE; {CH3C(O)CH3; Acetone}
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}
ALK6 = IGNORE; {>= C6 alkanes}
AONITA = IGNORE; {Aerosol-phase organic nitrate from aromatic precursors}
APAN = IGNORE; {C3H3NO5; Acryloyl peroxynitrate}
AROMCHO = IGNORE; {C5H6O4}
AROMRO2 = IGNORE; {generic peroxy radical from aromatic oxidation}
AROMP4 = IGNORE; {Generic C4 product from aromatic oxidation}
AROMP5 = IGNORE; {Generic C5 product from aromatic oxidation}
AROMPN = IGNORE; {Lumped aromatic PN}
AROMCO3 = IGNORE; {Lumped aromatic acyl peroxy radical}
ATO2 = IGNORE; {CH3C(O)CH2O2; RO2 from acetone}
ATOOH = IGNORE; {CH3C(O)CH2OOH; ATO2 peroxide}
B3O2 = IGNORE; {CH3CH(OO)CH3; Secondary RO2 from C3H8}
BALD = IGNORE; {benzaldehyde and tolualdehyde}
BENZ = IGNORE; {C6H6; Benzene}
BENZO = IGNORE; {C6H5O radical}
BENZO2 = IGNORE; {C6H5O2 radical}
BENZP = IGNORE; {hydroperoxide from BENZO2}
Br = IGNORE; {Br; Atomic bromine}
Br2 = IGNORE; {Br2; Molecular bromine}
BrCl = IGNORE; {BrCl; Bromine chloride}
BrNO2 = IGNORE; {BrNO2; Nitryl bromide}
BrNO3 = IGNORE; {BrNO3; Bromine nitrate}
BrO = IGNORE; {BrO; Bromine monoxide}
BRO2 = IGNORE; {C6H5O2 ; Peroxy radical from BENZ oxidation}
BrSALA = IGNORE; {Br; Fine sea salt bromine}
BrSALC = IGNORE; {Br; Course sea salt bromine}
BUTDI = IGNORE; {Butenedial}
BUTN = IGNORE; {BUTN; alkyl nitrate from C4H6}
BUTO2 = IGNORE; {C4H7O3}
BZCO3 = IGNORE; {benzoylperoxy radical}
BZCO3H = IGNORE; {perbenzoic acid}
BZPAN = IGNORE; {peroxybenzoyl nitrate}
C2H2 = IGNORE; {C2H2; Ethyne}
C2H4 = IGNORE; {Ethylene}
C2H6 = IGNORE; {C2H6; Ethane}
C3H8 = IGNORE; {C3H8; Propane}
C4H6 = IGNORE; {C4H6; 1,4 butadiene}
C4HVP1 = IGNORE; {C4 hydroxy-vinyl-peroxy radicals from HPALDs}
C4HVP2 = IGNORE; {C4 hydroxy-vinyl-peroxy radicals from HPALDs}
CCl4 = IGNORE; {CCl4; Carbon tetrachloride}
CFC11 = IGNORE; {CCl3F ; CFC-11, R-11, Freon 11}
CFC12 = IGNORE; {CCl2F2; CFC-12, R-12, Freon 12}
CFC113 = IGNORE; {C2Cl3F3; CFC-113, Freon 113}
CFC114 = IGNORE; {C2Cl2F4; CFC-114, Freon 114}
CFC115 = IGNORE; {C2ClF5; CFC-115, Freon 115}
CH2Br2 = IGNORE; {CH3Br2; Dibromomethane}
CH2Cl2 = IGNORE; {CH2Cl2; Dichloromethane}
CH2I2 = IGNORE; {CH2I2; Diiodomethane}
CH2IBr = IGNORE; {CH2IBr; Bromoiodomethane}
CH2ICl = IGNORE; {CH2ICl; Chloroiodomethane}
CH2O = IGNORE; {CH2O; Formaldehyde}
CH2OO = IGNORE; {CH2OO; Criegee intermediate}
CH3Br = IGNORE; {CH3Br; Methyl bromide}
CH3CCl3 = IGNORE; {CH3CCl3; Methyl chloroform}
CH3CHOO = IGNORE; {CH3CHOO; Criegee intermediate}
CH3Cl = IGNORE; {CH3Cl; Chloromethane}
CH3I = IGNORE; {CH3I; Methyl iodide}
CH4 = IGNORE; {CH4; Methane}
CHBr3 = IGNORE; {CHBr3; Tribromethane}
CHCl3 = IGNORE; {CHCl3; Chloroform}
Cl = IGNORE; {Cl; Atomic chlorine}
Cl2 = IGNORE; {Cl2; Molecular chlorine}
Cl2O2 = IGNORE; {Cl2O2; Dichlorine dioxide}
ClNO2 = IGNORE; {ClNO2; Nitryl chloride}
ClNO3 = IGNORE; {ClONO2; Chlorine nitrate}
ClO = IGNORE; {ClO; Chlorine monoxide}
ClOO = IGNORE; {ClOO; Chlorine dioxide}
CO = IGNORE; {CO; Carbon monoxide}
CO2 = IGNORE; {CO2; Carbon dioxide}
CSL = IGNORE; {cresols and xylols}
DMS = IGNORE; {(CH3)2S; Dimethylsulfide}
EBZ = IGNORE; {C6H5CH2CH3; Ethylbenzene}
EOH = IGNORE; {C2H5OH; Ethanol}
ETHLN = IGNORE; {CHOCH2ONO2; Ethanal nitrate}
ETHN = IGNORE; {stable hydroxy-nitrooxy-ethane}
ETHP = IGNORE; {stable hydroxy-hydroperoxy-ethane}
ETNO3 = IGNORE; {C2H5ONO2; Ethyl nitrate}
ETO = IGNORE; {hydroxy-alkoxy-ethane radical}
ETOO = IGNORE; {hydroxy-peroxy-ethane radical, formed from ethene + OH}
ETO2 = IGNORE; {CH3CH2OO; Ethylperoxy radical}
ETP = IGNORE; {CH3CH2OOH; Ethylhydroperoxide}
FURA = IGNORE; {FURAN conglomerate}
GCO3 = IGNORE; {HOCH2CO3: PHAN peroxyacetyl radical}
GLYC = IGNORE; {HOCH2CHO; Glycoaldehyde}
GLYX = IGNORE; {CHOCHO; Glyoxal}
H = IGNORE; {H; Atomic hydrogen}
H1211 = IGNORE; {CBrClF2; H-1211}
H1301 = IGNORE; {CBrF3; H-1301}
H2402 = IGNORE; {C2Br2F4; H-2402}
H2O = IGNORE; {H2O; Water vapor}
H2O2 = IGNORE; {H2O2; Hydrogen peroxide}
HAC = IGNORE; {HOCH2C(O)CH3; Hydroxyacetone}
HACTA = IGNORE; {HOCH2CO2H; hydroxyacetic acid}
HBr = IGNORE; {HBr; Hypobromic acid}
HC5A = IGNORE; {C5H8O2; Isoprene-4,1-hydroxyaldehyde}
HCFC123 = IGNORE; {C2HCl2F3; HCFC-123, R-123, Freon 123}
HCFC141b = IGNORE; {C(CH3)Cl2F; HCFC-141b, R-141b, Freon 141b}
HCFC142b = IGNORE; {C(CH3)ClF2; HCFC-142b, R-142b, Freon 142b}
HCFC22 = IGNORE; {CHClF2 ; HCFC-22, R-22, Freon 22}
HCl = IGNORE; {HCl; Hydrochloric acid}
HCOOH = IGNORE; {HCOOH; Formic acid}
HI = IGNORE; {HI; Hydrogen iodide}
HMHP = IGNORE; {HOCH2OOH; Hydroxymethyl hydroperoxide}
HMML = IGNORE; {C4H6O3; Hydroxymethyl-methyl-a-lactone}
HMS = IGNORE; {HOCH2SO3-; hydroxymethanesulfonate}
HNO2 = IGNORE; {HONO; Nitrous acid}
HNO3 = IGNORE; {HNO3; Nitric acid}
HNO4 = IGNORE; {HNO4; Pernitric acid}
HO2 = IGNORE; {HO2; Hydroperoxyl radical}
HOBr = IGNORE; {HOBr; Hypobromous acid}
HOCl = IGNORE; {HOCl; Hypochlorous acid}
HOI = IGNORE; {HOI; Hypoiodous acid}
HONIT = IGNORE; {2nd gen monoterpene organic nitrate}
HPALD1 = IGNORE; {O=CHC(CH3)=CHCH2OOH; d-4,1-C5-hydroperoxyaldehyde}
HPALD1OO = IGNORE; {peroxy radicals from HPALD1}
HPALD2 = IGNORE; {HOOCH2C(CH3)=CHCH=O; d-1,4-C5-hydroperoxyaldehyde}
HPALD2OO = IGNORE; {peroxy radicals from HPALD2}
HPALD3 = IGNORE; {O=CHC(CH3)OOHCH=CH2; b-2,1-C5-hydroperoxyaldehyde}
HPALD4 = IGNORE; {CH2=C(CH3)CHOOHCH=O; b-3,4-C5-hydroperoxyaldehyde}
HPETHNL = IGNORE; {CHOCH2OOH; hydroperoxyethanal}
I = IGNORE; {I; Atmoic iodine}
I2 = IGNORE; {I2; Molecular iodine}
I2O2 = IGNORE; {I2O2; Diiodine dioxide}
I2O3 = IGNORE; {I2O3; Diiodine trioxide}
I2O4 = IGNORE; {I2O4; Diiodine tetraoxide}
IBr = IGNORE; {IBr; Iodine monobromide}
ICHE = IGNORE; {C5H8O3; Isoprene hydroxy-carbonyl-epoxides}
ICHOO = IGNORE; {peroxy radical from IEPOXD}
ICl = IGNORE; {ICl; Iodine monochloride}
ICN = IGNORE; {C5H7NO4; Lumped isoprene carbonyl nitrates}
ICNOO = IGNORE; {peroxy radicals from ICN}
ICPDH = IGNORE; {C5H10O5; Isoprene dihydroxy hydroperoxycarbonyl}
IDC = IGNORE; {C5H6O2; Lumped isoprene dicarbonyls}
IDCHP = IGNORE; {C5H8O5; Isoprene dicarbonyl hydroxy dihydroperoxide}
IDHDP = IGNORE; {C5H12O6; Isoprene dihydroxy dihydroperoxide}
IDHNBOO = IGNORE; {peroxy radicals from INPB}
IDHNDOO1 = IGNORE; {peroxy radicals from INPD}
IDHNDOO2 = IGNORE; {peroxy radicals from INPD}
IDHPE = IGNORE; {C5H10O5; Isoprene dihydroxy hydroperoxy epoxide}
IDN = IGNORE; {C5H8N2O6; Lumped isoprene dinitrates}
IDNOO = IGNORE; {peroxy radicals from IDN}
IEPOXA = IGNORE; {C5H10O3; trans-Beta isoprene epoxydiol}
IEPOXAOO = IGNORE; {peroxy radical from trans-Beta isoprene epoxydiol}
IEPOXB = IGNORE; {C5H10O3; cis-Beta isoprene epoxydiol}
IEPOXBOO = IGNORE; {peroxy radical from cis-Beta isoprene epoxydiol}
IEPOXD = IGNORE; {C5H10O3; Delta isoprene epoxydiol}
IHN1 = IGNORE; {C5H9NO4; Isoprene-d-4-hydroxy-1-nitrate}
IHN2 = IGNORE; {C5H9NO4; Isoprene-b-1-hydroxy-2-nitrate}
IHN3 = IGNORE; {C5H9NO4; Isoprene-b-4-hydroxy-3-nitrate}
IHN4 = IGNORE; {C5H9NO4; Isoprene-d-1-hydroxy-4-nitrate}
IHOO1 = IGNORE; {peroxy radical from OH addition to isoprene at C1}
IHOO4 = IGNORE; {peroxy radical from OH addition to isoprene at C4}
IHPNBOO = IGNORE; {peroxy radicals from INPB}
IHPNDOO = IGNORE; {peroxy radicals from INPD}
IHPOO1 = IGNORE; {peroxy radical from ISOPOOH}
IHPOO2 = IGNORE; {peroxy radical from ISOPOOH}
IHPOO3 = IGNORE; {peroxy radical from ISOPOOH}
INA = IGNORE; {alkoxy radical from INO2D}
INDIOL = IGNORE; {Generic aerosol phase organonitrate hydrolysis product}
INO = IGNORE; {INO; Nitrosyl iodide}
INO2B = IGNORE; {beta-peroxy radicals from isoprene + NO3}
INO2D = IGNORE; {delta-peroxy radicals from isoprene + NO3}
INPB = IGNORE; {C5H9NO5; Lumped isoprene beta-hydroperoxy nitrates}
INPD = IGNORE; {C5H9NO5; Lumped isoprene delta-hydroperoxy nitrates}
IO = IGNORE; {IO; Iodine monoxide}
IONITA = IGNORE; {Aerosol-phase organic nitrate from isoprene precursors}
IONO = IGNORE; {IONO; Nitryl iodide}
IONO2 = IGNORE; {IONO2; Iodine nitrate}
IPRNO3 = IGNORE; {C3H8ONO2; Isopropyl nitrate}
ISALA = IGNORE; {I; Fine sea salt iodine}
ISALC = IGNORE; {I; Coarse sea salt iodine}
ISOP = IGNORE; {CH2=C(CH3)CH=CH2; Isoprene}
ISOPNOO1 = IGNORE; {peroxy radicals from IHN2}
ISOPNOO2 = IGNORE; {peroxy radicals from IHN3}
ITCN = IGNORE; {C5H9NO7; Lumped tetrafunctional isoprene carbonyl-nitrates}
ITHN = IGNORE; {C5H11NO7; Lumped tetrafunctional isoprene hydroxynitrates}
KO2 = IGNORE; {RO2 from >3 ketones}
LBRO2H = IGNORE; {Dummy spc to track oxidation of BRO2 by HO2}
LBRO2N = IGNORE; {Dummy spc to track oxidation of BRO2 by NO}
LIMO = IGNORE; {C10H16; Limonene}
LIMO2 = IGNORE; {RO2 from LIMO}
APINP = IGNORE;
APINN = IGNORE;
PINAL = IGNORE;
PINPAN = IGNORE;
PINONIC = IGNORE;
PINO3H = IGNORE;
C96O2H = IGNORE;
C96N = IGNORE;
BPINO = IGNORE;
BPINN = IGNORE;
BPINP = IGNORE;
BPINOOH = IGNORE;
BPINON = IGNORE;
LIMAL = IGNORE;
LIMN = IGNORE;
LIMKET = IGNORE;
LIMKB = IGNORE;
LIMNB = IGNORE;
LIMPAN = IGNORE;
LIMO2H = IGNORE;
LIMO3H = IGNORE;
MYRCO = IGNORE;
PIN = IGNORE;
APINO2 = IGNORE;
PINO3 = IGNORE;
C96O2 = IGNORE;
BPINO2 = IGNORE;
BPINOO2 = IGNORE;
LIMKO2 = IGNORE;
LIMO3 = IGNORE;
LISOPOH = IGNORE; {Dummy spc to track oxidation of ISOP by OH}
LISOPNO3 = IGNORE; {Dummy spc to track oxidation of ISOP by NO3}
LNRO2H = IGNORE; {Dummy spc to track oxidation of NRO2 by HO2}
LNRO2N = IGNORE; {Dummy spc to track oxidation of NRO2 by NO}
LTRO2H = IGNORE; {Dummy spc to track oxidation of TRO2 by HO2}
LTRO2N = IGNORE; {Dummy spc to track oxidation of TRO2 by NO}
LVOC = IGNORE; {C5H14O5; Gas-phase low-volatility non-IEPOX product of ISOPOOH (RIP) oxidation}
LVOCOA = IGNORE; {C5H14O5; Aerosol-phase low-volatility non-IEPOX product of ISOPOOH (RIP) oxidation}
LXRO2H = IGNORE; {Dummy spc to track oxidation of XRO2 by HO2}
LXRO2N = IGNORE; {Dummy spc to track oxidation of XRO2 by NO}
MACR = IGNORE; {CH2=C(CH3)CHO; Methacrolein}
MACR1OO = IGNORE; {peroxyacyl radical from MACR + OH}
MACR1OOH = IGNORE; {CH2=C(CH3)C(O)OOH; Peracid from MACR}
MACRNO2 = IGNORE; {Product of MCRHN + OH}
MAP = IGNORE; {CH3C(O)OOH; Peroxyacetic acid}
MCO3 = IGNORE; {CH3C(O)OO; Peroxyacetyl radical}
MCRDH = IGNORE; {C4H8O3; Dihydroxy-MACR}
MCRENOL = IGNORE; {C4H6O2; Lumped enols from MVK/MACR}
MCRHN = IGNORE; {HOCH2C(ONO2)(CH3)CHO; Hydroxynitrate from MACR}
MCRHNB = IGNORE; {O2NOCH2C(OH)(CH3)CHO; Hydroxynitrate from MACR}
MCRHP = IGNORE; {HOCH2C(OOH)(CH3)CHO; Hydroxy-hydroperoxy-MACR}
MCROHOO = IGNORE; {peroxy radical from MACR + OH}
MCT = IGNORE; {methylcatechols}
MEKCO3 = IGNORE; {MEK peroxyacetyl radical}
MEK = IGNORE; {RC(O)R; Methyl ethyl ketone}
MEKPN = IGNORE; {MEK peroxynitrate, C3PAN1 from MCM}
MENO3 = IGNORE; {CH3ONO2; methyl nitrate}
MGLY = IGNORE; {CH3COCHO; Methylglyoxal}
MO2 = IGNORE; {CH3O2; Methylperoxy radical}
MOH = IGNORE; {CH3OH; Methanol}
MONITA = IGNORE; {Aerosol-phase organic nitrate from monoterpene precursors}
MONITS = IGNORE; {Saturated 1st gen monoterpene organic nitrate}
MONITU = IGNORE; {Unsaturated 1st gen monoterpene organic nitrate}
MP = IGNORE; {CH3OOH; Methylhydroperoxide}
MPAN = IGNORE; {CH2=C(CH3)C(O)OONO2; Peroxymethacroyl nitrate (PMN)}
MPN = IGNORE; {CH3O2NO2; Methyl peroxy nitrate}
MSA = IGNORE; {CH4SO3; Methanesulfonic acid}
MTPA = IGNORE; {Lumped monoterpenes: a-pinene, b-pinene, sabinene, carene}
MTPO = IGNORE; {Other monoterpenes: Terpinene, terpinolene, myrcene, ocimene, other monoterpenes}
MVK = IGNORE; {CH2=CHC(=O)CH3; Methyl vinyl ketone}
MVKDH = IGNORE; {HOCH2CH2OHC(O)CH3; Dihydroxy-MVK}
MVKHC = IGNORE; {C4H6O3; MVK hydroxy-carbonyl}
MVKHCB = IGNORE; {C4H6O3; MVK hydroxy-carbonyl}
MVKHP = IGNORE; {C4H8O4; MVK hydroxy-hydroperoxide}
MVKN = IGNORE; {HOCH2CH(ONO2)C(=O)CH3; Hydroxynitrate from MVK}
MVKOHOO = IGNORE; {peroxy radical from MVK + OH}
MVKPC = IGNORE; {OCHCH(OOH)C(O)CH3; MVK hydroperoxy-carbonyl}
N = IGNORE; {N; Atomic nitrogen}
N2O = IGNORE; {N2O; Nitrous oxide}
N2O5 = IGNORE; {N2O5; Dinitrogen pentoxide}
NAP = IGNORE; {C10H8; Naphthalene; IVOC surrogate}
NIT = IGNORE; {NIT; Fine mode inorganic nitrate}
NITs = IGNORE; {NITs; Coarse mode inorganic nitrate}
NO = IGNORE; {NO; Nitric oxide}
NO2 = IGNORE; {NO2; Nitrogen dioxide}
NO3 = IGNORE; {NO3; Nitrate radical}
NPHEN = IGNORE; {nitrophenols}
NPRNO3 = IGNORE; {C3H8ONO2; n-propyl nitrate}
NRO2 = IGNORE; {Peroxy radical from NAP oxidation}
O = IGNORE; {O(3P); Ground state atomic oxygen}
O1D = IGNORE; {O(1D); Excited atomic oxygen}
O3 = IGNORE; {O3; Ozone}
O3A = IGNORE; {O3; Ozone in accum seasalt}
O3C = IGNORE; {O3; Ozone in coarse seasalt}
OClO = IGNORE; {OClO; Chlorine dioxide}
OCS = IGNORE; {COS; Carbonyl sulfide}
OH = IGNORE; {OH; Hydroxyl radical}
OIO = IGNORE; {OIO; Iodine dioxide}
OLND = IGNORE; {Monoterpene-derived NO3-alkene adduct}
OLNN = IGNORE; {Monoterpene-derived NO3 adduct}
OTHRO2 = IGNORE; {Other C2 RO2 not from C2H6 oxidation}
PAN = IGNORE; {CH3C(O)OONO2; Peroxyacetylnitrate}
PHAN = IGNORE; {OCC(=O)OON(=O)=O; peroxyhydroxyacetic nitric anhydride}
PHEN = IGNORE; {phenol}
PIO2 = IGNORE; {RO2 from MTPA}
PIP = IGNORE; {Peroxides from MTPA}
PO2 = IGNORE; {HOCH2CH(OO)CH3; RO2 from propene}
PP = IGNORE; {HOCH2CH(OOH)CH3; Peroxide from PO2}
PPN = IGNORE; {CH3CH2C(O)OONO2; Peroxypropionylnitrate}
PRN1 = IGNORE; {O2NOCH2CH(OO)CH3; RO2 from propene + NO3}
PROPNN = IGNORE; {CH3C(=O)CH2ONO2; Propanone nitrate}
PRPE = IGNORE; {C3H6; >= C3 alkenes}
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 >= C4 biogenic organics}
R4P = IGNORE; {CH3CH2CH2CH2OOH; Peroxide from R4O2}
R7O2 = IGNORE; {RO2 from ALK6}
R7N1 = IGNORE; {RO2 from R7N2}
R7P = IGNORE; {Peroxide from R7O2}
R7N2 = IGNORE; {RO2NO; >= C6 alkylnitrates}
RA3P = IGNORE; {CH3CH2CH2OOH; Peroxide from A3O2}
RB3P = IGNORE; {CH3CH(OOH)CH3; Peroxide from B3O2}
RCHO = IGNORE; {CH3CH2CHO; >= C3 aldehydes}
RCO3 = IGNORE; {CH3CH2C(O)OO; Peroxypropionyl radical}
RCOOH = IGNORE; {C2H5C(O)OH; > C2 organic acids}
RIPA = IGNORE; {HOCH2C(OOH)(CH3)CH=CH2; 1,2-ISOPOOH}
RIPB = IGNORE; {HOCH2C(OOH)(CH3)CH=CH2; 4,3-ISOPOOH}
RIPC = IGNORE; {C5H10O3; d(1,4)-ISOPOOH}
RIPD = IGNORE; {C5H10O3; d(4,1)-ISOPOOH}
RNO3 = IGNORE; {C7H9NO6; lumped aromatic alkyl nitrate}
ROH = IGNORE; {C3H7OH; > C2 alcohols}
RP = IGNORE; {CH3CH2C(O)OOH; Peroxide from RCO3}
SALAAL = IGNORE; {Accumulation mode seasalt aerosol alkalinity}
SALCAL = IGNORE; {Coarse mode seasalt aerosol alkalinity}
SALACL = IGNORE; {Cl; Fine chloride}
SALCCL = IGNORE; {Cl; Coarse chloride}
SALASO2 = IGNORE; {SO2; Fine seasalt}
SALCSO2 = IGNORE; {SO2; Coarse seasalt}
SALASO3 = IGNORE; {SO3--; Fine seasalt}
SALCSO3 = IGNORE; {SO3--; Coarse chloride}
SO2 = IGNORE; {SO2; Sulfur dioxide}
SO4 = IGNORE; {SO4; Sulfate}
SO4s = IGNORE; {SO4 on sea-salt; Sulfate}
SOAGX = IGNORE; {CHOCHO; Aerosol-phase glyoxal}
SOAIE = IGNORE; {C5H10O3; Aerosol-phase IEPOX}
STYR = IGNORE; {C6H5CHCH2; Styrene}
TLFUONE = IGNORE; {C5H6O2; lumped furanones}
TLFUO2 = IGNORE; {C5H7O5; RO2 from TLFUONE}
TMB = IGNORE; {C6H3(CH3)3; Trimethylbenzenes}
TOLU = IGNORE; {C7H8; Toluene}
TRO2 = IGNORE; {Peroxy radical from TOLU oxidation}
XYLE = IGNORE; {C8H10; Xylene}
XRO2 = IGNORE; {Peroxy radical from XYLE oxidation}
PH2SO4 = IGNORE; {SO4 from gas-phase chemistry}
PSO4AQ = IGNORE; {SO4 from cloud chemistry}
ZRO2 = IGNORE; {Lumped RO2 from aromatics}
#DEFFIX
H2 = IGNORE; {H2; Molecular hydrogen}
N2 = IGNORE; {N2; Molecular nitrogen}
O2 = IGNORE; {O2; Molecular oxygen}
#EQUATIONS
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
// %%%%% Reactions extracted from sulfate_mod.F90 (MSL, BMY) %%%%%
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
//
// Seasalt
SO2 + SALAAL + O3 = SO4 - SALAAL : K_MT(1);
HCl + SALAAL = SALACL : K_MT(2);
HNO3 + SALAAL = NIT : K_MT(3);
SO2 + SALCAL + O3 = SO4s - SALCAL : K_MT(4);
HCl + SALCAL = SALCCL : K_MT(5);
HNO3 + SALCAL = NITs : K_MT(6);
//
// Cloud
// S(IV) --> S(VI)
SO2 + H2O2 = SO4 : K_CLD(1);
SO2 + O3 = SO4 : K_CLD(2);
SO2 {+O2} = SO4 : K_CLD(3); {Mn & Fe catalysis + HET_DROP_CHEM()}
//
// HMS
CH2O + SO2 = HMS : K_CLD(4); {Sep 2021; Moch2020; MSL}
HMS = SO2 + CH2O : K_CLD(5); {Sep 2021; Moch2020; MSL}
HMS + OH + SO2 = 2SO4 + CH2O + 2PSO4AQ : K_CLD(6); {Sep 2021; Moch2020; MSL}
//
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
// %%%%% Gas-phase chemistry reactions %%%%%
// %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
//
// NOTES:
// ------
// (1) Be sure to use "D" exponents to force double precision values!
// (i.e. write 1.70d-12 instead of 1.70e-12, etc.).
// -- Bob Yantosca (16 Dec 2020)
//
// (2) This file might not render properly if the right hand side of the
// equation is longer than ~100 characters. This seems to be an issue
// with the KPP code itself. See this Github issue at geoschem/KPP:
// https://github.com/geoschem/KPP/issues/1
// -- Bob Yantosca (16 Dec 2020)
//
// (3) To avoid useless CPU cycles, we have introduced new rate law functions
// that skip computing Arrhenius terms (and other terms) that would
// evaluate to 1. The Arrhenius terms that are passed to the function
// are in most cases now noted in the function name (e.g. GCARR_abc takes
// Arrhenius A, B, C parameters but GCARR_ac only passes A and C
// parameters because B=0 and the (300/T)*B would evaluate to 1).
// This should be much more computationally efficient, as these functions
// are called (sometimes multiple times) for each grid box where we
// perform chemistry.
// -- Bob Yantosca (25 Jan 2020)
//
O3 + NO = NO2 + O2 : GCARR_ac(3.00d-12, -1500.0d0);
O3 + OH = HO2 + O2 : GCARR_ac(1.70d-12, -940.0d0);
O3 + HO2 = OH + O2 + O2 : GCARR_ac(1.00d-14, -490.0d0);
O3 + NO2 = O2 + NO3 : GCARR_ac(1.20d-13, -2450.0d0);
O3 + MO2 = CH2O + HO2 + O2 : GCARR_ac(2.90d-16, -1000.0d0); {2014/02/03; Eastham2014; SDE}
OH + OH = H2O + O : 1.80d-12; {2014/02/03; Eastham2014; SDE}
OH + OH {+M} = H2O2 : GCJPLPR_aba(6.90d-31, 1.0d+00, 2.6d-11, 0.6d0);
OH + HO2 = H2O + O2 : GCARR_ac(4.80d-11, 250.0d0);
OH + H2O2 = H2O + HO2 : 1.80d-12;
HO2 + NO = OH + NO2 : GCARR_ac(3.44d-12, 260.0d0); {2023/04/18; JPL 19-5; KHB}
HO2 + HO2 = H2O2 + O2 : GC_HO2HO2_acac(3.00d-13, 460.0d0, 2.1d-33, 920.0d0); {2014/02/03; Eastham2014; SDE}
OH + CO = HO2 + CO2 : GCJPLPR_abab(6.9d-33,2.1d0,1.1d-12,-1.3d0,0.6d0) + GCJPLAC_ababac(6.9d-33,2.1d0,1.1d-12,-1.3d0,1.85d-13,-6.5d1,0.6d0); {2023/04/18; JPL 19-5; KHB}
OH + CH4 = MO2 + H2O : GCARR_ac(2.45d-12, -1775.0d0);
MO2 + NO = CH2O + HO2 + NO2 : GC_RO2NO_B1_ac(2.80d-12, 300.0d0); {2019/05/10; Fisher2018; JAF}
MO2 + NO = MENO3 : GC_RO2NO_A1_ac(2.80d-12, 300.0d0); {2019/05/10; Fisher2018; JAF}
MO2 + HO2 = MP + O2 : GCARR_ac(4.10d-13, 750.0d0);
MO2 + MO2 = MOH + CH2O + O2 : GC_TBRANCH_1_acac(9.50d-14, 390.0d0, 2.62d1, -1130.0d0);
MO2 + MO2 = 2.000CH2O + 2.000HO2 : GC_TBRANCH_1_acac(9.50d-14, 390.0d0, 4.0d-2, 1130.0d0);
MO2 + OH = 0.13MOH + 0.87CH2O + 1.74HO2 : 1.60d-10 ; {2021/09/22; Bates2021a; KHB,MSL}
MP + OH = 0.700MO2 + 0.300OH +
0.300CH2O + H2O : GCARR_ac(3.80d-12, 200.0d0);
ATOOH + OH = 0.700ATO2 + 0.300MGLY +
0.300OH + H2O : GCARR_ac(3.80d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
CH2O + OH = CO + HO2 + H2O : GCARR_ac(5.50d-12, 125.0d0);
NO2 + OH {+M} = HNO3 {+M} : GCJPLPR_aba(1.80d-30, 3.0d+00, 2.8d-11, 0.6d0);
HNO3 + OH = H2O + NO3 : GCJPLPR_abab(3.9d-31,7.2d0,1.5d-13,4.8d0,0.6d0) + GCJPLAC_ababac(3.9d-31,7.2d0,1.5d-13,4.8d0,3.7d-14,2.4d2,0.6d0); {2023/04/18; JPL 19-5; KHB}
NO + OH {+M} = HNO2 {+M} : GCJPLPR_abab(7.00d-31, 2.6d+00, 3.60d-11, 0.1d0, 0.6d0);
HNO2 + OH = H2O + NO2 : GCARR_ac(3.00d-12, 250.0d0); {2023/04/18; JPL 19-5; KHB}
HO2 + NO2 {+M} = HNO4 {+M} : GCJPLPR_abab(1.90d-31, 3.4d+00, 4.0d-12, 0.3d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
HNO4 {+M} = HO2 + NO2 : GCJPLPR_abcabc(9.05d-05, 3.4d0, -10900.0d0, 1.90d15, 0.3d0, -10900.0d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
HNO4 + OH = H2O + NO2 + O2 : GCARR_ac(4.50d-13, 610.0d0); {2023/04/18; JPL 19-5; KHB}
HO2 + NO3 = OH + NO2 + O2 : 3.50d-12;
NO + NO3 = 2.000NO2 : GCARR_ac(1.70d-11, 125.0d0); {2023/04/18; JPL 19-5; KHB}
OH + NO3 = HO2 + NO2 : 2.00d-11; {2023/04/18; JPL 19-5; KHB}
NO2 + NO3 {+M} = N2O5 {+M} : GCJPLPR_abab(2.40d-30, 3.0d+00, 1.6d-12, -0.1d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
N2O5 {+M} = NO2 + NO3 : GCJPLPR_abcabc(4.14d-04, 3.0d0, -10840.0d0, 2.76d14, -0.1d0, -10840.0d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
HCOOH + OH = H2O + CO2 + HO2 : 4.00d-13; {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
MOH + OH = HO2 + CH2O : GCARR_ac(2.90d-12, -345.0d0);
NO2 + NO3 = NO + NO2 + O2 : GCARR_ac(4.35d-14, -1335.0d0); {2023/04/18; JPL 19-5; KHB}
NO3 + CH2O = HNO3 + HO2 + CO : 5.80d-16;
ALD2 + OH = 0.950MCO3 + 0.050CH2O +
0.050CO + 0.050HO2 + H2O : GCARR_ac(4.63d-12, 350.0d0); {2014/02/03; Eastham2014; SDE}
ALD2 + NO3 = HNO3 + MCO3 : GCARR_ac(1.40d-12, -1900.0d0);
MCO3 + NO2 {+M} = PAN : GCJPLPR_abab(7.30d-29, 4.1d+00, 9.5d-12, 1.6d0, 0.6d0); {2023/04/18; JPL 19-5; KHB}
PAN = MCO3 + NO2 : GCJPLEQ_acabab(9.00d-29, 14000.0d0, 7.3d-29, 4.1d0, 9.5d-12, 1.6d0, 0.6d0); {2023/04/18; JPL 19-5; KHB}
PAN + OH = CH2O + CO + NO2 : 3.00d-14 ;
MCO3 + NO = MO2 + NO2 + CO2 : GCARR_ac(8.10d-12, 270.0d0);
C2H6 + OH = ETO2 + H2O : GCARR_ac(7.66d-12, -1020.0d0); {2013/02/12; JPL 10-6; BHH,JMAO,EAM}
ETO2 + NO = ALD2 + NO2 + HO2 : GC_RO2NO_B2_aca(2.60d-12, 365.0d0, 2.0d0); {2019/05/10; Fisher2018; JAF}
ETO2 + NO = ETNO3 : GC_RO2NO_A2_aca(2.60d-12, 365.0d0, 2.0d0); {2019/05/10; Fisher2018; JAF}
OTHRO2 + NO = ALD2 + NO2 + HO2 : GCARR_ac(2.60d-12, 365.0d0); {2019/05/10; Fisher2018; JAF}
C3H8 + OH = B3O2 : GCARR_abc(8.54d-13,1.54d0,-19.0d0); {2023/04/18; JPL 19-5; KHB}
C3H8 + OH = A3O2 : GCARR_abc(1.97d-12,1.23d0,-675.0d0); {2023/04/18; JPL 19-5; KHB}
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);
// --- ALK6 chemistry from Lurman et al., 1986
ALK6 + OH = R7O2 : GCARR_ac(2.00d-11, -359.0d0);
ALK6 + NO3 = HNO3 + R7O2 : 6.0d-17;
R7O2 + NO = NO2 + 0.750RCHO + 0.250R4O2 +
0.250MEK + 0.750HO2 : GC_RO2NO_B2_aca(2.70d-12, 350.0d0, 7.0d0);
R7O2 + NO = R7N2 : GC_RO2NO_A2_aca(2.70d-12, 350.0d0, 7.0d0);
R7O2 + HO2 = R7P : 3.0d-12;
R7P + OH = 0.500OH + 0.500R7O2 + 0.500RCHO : 1.00d-11; {}
R7N2 + OH = R7N1 + H2O : 4.00d-12;
R7N1 + NO = 2.000NO2 + 0.980CH2O +
0.650ALD2 + 1.240RCHO : GCARR_ac(4.20d-12, 180.0d0); {}
R7N1 + HO2 = R7N2 : GCARR_ac(7.40d-13, 700.0d0);
// ----- C4H6 --> APAN --- currently no RO2 RO2
C4H6 + OH = BUTO2 : GCARR_ac(1.48d-11, 448.0d0);
C4H6 + NO3 = ACR + CH2O + NO2 : 1.03d-13;
C4H6 + O3 = ACR + CH2O : GCARR_ac(1.34d-14,-2283.0d0);
BUTO2 + NO = 0.058BUTN + 0.730ACR +
0.603CH2O + 0.513HO2 + 0.942NO2 +
0.326RCHO : GCARR_ac(2.70d-12, 360.0d0); { krt, MCM}
BUTO2 + HO2 = 0.659GLYC + 0.894RCHO : GCARR_ac(1.82d-13,1300d0); {MCM}
BUTN + OH = GLYC + NO2 + CH2O + HO2 +
CO : 3.59d-11; {krt, MCM}
ACR + OH = 0.680ACO3 + 0.255ACRO2 +
0.065CH2O + 0.065GLYX + 0.425HO2 : 2.00d-11; {krt, MCM}
ACRO2 + NO = GLYC + NO2 + HO2 + CO : GCARR_ac(2.70d-12,360.0d0) ;{krt, MCM}
ACRO2 + HO2 = GLYC + HO2 + CO : GCARR_ac(1.51d-13,1300.0d0) ;{krt, MCM}
ACO3 + HO2 = CO + CH2O + 0.500GLYC +
0.250HO2 + 0.250OH : GCARR_ac(5.2d-13, 980.0d0) ; {krt, MCM}
ACO3 + NO = HO2 + CO + CH2O + NO2 : GCARR_ac(7.5d-12, 290.0d0) ; {krt, MCM}
ACO3 + NO2 {+M} = APAN : GCJPLPR_abab(9.70d-29, 5.6d+00, 9.3d-12, 1.5d0, 0.6d0);
APAN = ACO3 + NO2 : GCJPLEQ_acabab(9.30d-29, 14000.0d0, 9.7d-29, 5.6d0, 9.3d-12, 1.5d0, 0.6d0);
APAN + OH = GLYC + CO + NO3 : 1.47d-11 ; {krt, MCM}
//
ALK4 + OH = R4O2 : GCARR_ac(9.10d-12, -405.0d0);
ALK4O2 + NO = NO2 + 0.340ACET + 0.190MEK +
0.190MO2 + 0.270HO2 + 0.340ALD2 +
0.150RCHO + 0.050A3O2 + 0.190B3O2 +
0.340OTHRO2 : 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 + 0.640RCHO +
0.970ALD2 + 0.640CH2O : GCARR_ac(2.70d-12, 350.0d0); {2023/05/14; Brewer2023; JFB}
R4O2 + NO = NO2 + 0.340ACET + 0.190MEK +
0.190MO2 + 0.270HO2 + 0.340ALD2 +
0.150RCHO + 0.050A3O2 + 0.190B3O2 +
0.340OTHRO2 : GC_RO2NO_B2_aca(2.70d-12, 350.0d0, 4.5d0); {2023/04/18; Bates2023; KHB}
R4O2 + NO = R4N2 : GC_RO2NO_A2_aca(2.70d-12, 350.0d0, 4.5d0);
R4N1 + NO = 2.000NO2 + 0.640RCHO +
0.970ALD2 + 0.640CH2O : GCARR_ac(2.70d-12, 350.0d0); {2023/04/18; Bates2023; KHB}
ATO2 + NO = NO2 + CH2O + MCO3 : GCARR_ac(2.90d-12, 300.0d0); {2023/04/18; JPL 19-5; KHB}
KO2 + NO = 0.928NO2 + 0.919ALD2 +
0.919MCO3 + 0.072ALK4N2 : GCARR_ac(2.70d-12, 350.0d0); {2023/04/18; Bates2023; KHB},{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 + 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}
PPN = RCO3 + NO2 : GCJPLEQ_acabab(9.00d-29, 14000.0d0, 9.00d-28, 8.9d0, 7.7d-12, 0.2d0, 0.6d0);
PPN + OH = ALD2 + CO + NO2 : 1.27d-12 ;
RCO3 + NO = NO2 + 0.490OTHRO2 +
0.070A3O2 + 0.270B3O2 + CO2 : GCARR_ac(6.70d-12, 340.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; Bates2023; KHB}
RCHO + NO3 = HNO3 + RCO3 : 6.50d-15;
ACET + OH = ATO2 + H2O : 1.33d-13 + 3.82d-11*exp(-2000.0d0/TEMP); {JPL Eval 17, p1-62-D31; EVF}
A3O2 + MO2 = HO2 + 0.750CH2O + 0.750RCHO +
0.250MOH + 0.250ROH : 5.92d-13;
PO2 + MO2 = HO2 + 0.500ALD2 + 1.250CH2O +
0.160HAC + 0.090RCHO + 0.250MOH +
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 +
0.150MCO3 + 0.850ATOOH + 0.850MO2 : GC_RO2HO2_aca(2.91d-13, 1300.0d0, 4.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE; 2023/04/18; Bates2023; KHB}
B3O2 + HO2 = RB3P : GC_RO2HO2_aca(2.91d-13, 1300.0d0, 3.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
PRN1 + HO2 = PRPN : GC_RO2HO2_aca(2.91d-13, 1300.0d0, 3.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
// -------- MEKPN -------------------
MEK + OH = KO2 + H2O : GCARR_ac(1.50d-12, -90.0d0); {2023/04/18; Atkinson2006; KHB}
KO2 + NO = 0.930NO2 + 0.620ALD2 +
0.620MCO3 + 0.070R4N2 +
0.310MEKCO3 + 0.310CH2O : GCARR_ac(2.70d-12, 350.0d0);
MEKCO3 + NO2 {+M} = MEKPN : GCJPLPR_abab(9.70d-29, 5.6d+00, 9.3d-12, 1.5d0, 0.6d0); {JPL Eval 17}
MEKPN = MEKCO3 + NO2 : GCJPLEQ_acabab(9.30d-29, 14000.0d0, 9.7d-29, 5.6d0, 9.3d-12, 1.5d0, 0.6d0);
MEKPN + OH = GLYC + CO + NO2 : 4.51E-12;
MEKCO3 + NO = NO2 + ETOO + CO2 : GCARR_ac(7.50d-12, 290.0d0);
MEKCO3 + HO2 = 0.150O3 + 0.150RCOOH +
0.440CO2 + 0.440OH + 0.440ETOO +
0.410RP : GCARR_ac(5.20d-13, 980.0d0);
//
MO2 + ETO2 = 0.750CH2O + 0.750ALD2 + HO2 +
0.250MOH + 0.250EOH : 3.00d-13;
MO2 + OTHRO2 = 0.750CH2O + 0.750ALD2 +
HO2 + 0.250MOH + 0.250EOH : 3.00d-13; {2019/05/10; Fisher2018; JAF}
MEK + NO3 = HNO3 + KO2 : 8.00d-16;
R4O2 + MO2 = 0.160ACET + 0.100MEK +
0.090MO2 + 0.140HO2 + 0.160ALD2 +
0.130RCHO + 0.030A3O2 + 0.090B3O2 +
0.160OTHRO2 + 0.250MEK + 0.750CH2O +
0.250MOH + 0.380ROH + 0.500HO2 : 8.37d-14; {2023/04/18; Bates2023; KHB}
R4N1 + MO2 = NO2 + 0.950CH2O + 0.380ALD2 +
0.580RCHO + 0.150R4O2 + 0.500HO2 +
0.250MOH + 0.375ROH : 8.37d-14; {2023/04/18; Bates2023; KHB}
ALK4O2 + MO2 = 0.160ACET + 0.100MEK +
0.090MO2 + 0.140HO2 + 0.160ALD2 +
0.130RCHO + 0.030A3O2 + 0.090B3O2 +
0.160OTHRO2 + 0.250MEK + 0.750CH2O +
0.250MOH + 0.380ROH + 0.500HO2 : 8.37d-14; {2023/05/14; Brewer2023; JFB}
ALK4N1 + MO2 = NO2 + 0.950CH2O + 0.380ALD2 +
0.580RCHO + 0.150R4O2 + 0.500HO2 +
0.250MOH + 0.375ROH : 8.37d-14; {2023/05/14; Brewer2023; JFB}
ATO2 + MO2 = 0.300HO2 + 0.500CH2O +
0.300MCO3 + 0.200HAC + 0.500MGLY +
0.500MOH + 0.300CO2 : GCARR_ac(7.50d-13, 500.0d0); {2023/04/18; Bates2023; KHB}
KO2 + MO2 = 0.500ALD2 + 0.500MCO3 +
0.250MEK + 0.750CH2O + 0.250MOH +
0.250ROH + 0.500HO2 + 0.250MO2 : 8.37d-14; {2023/04/18; Bates2023; KHB}
B3O2 + MO2 = 0.500HO2 + 0.500ACET +
0.250ACET + 0.750CH2O + 0.250MOH +
0.250ROH + 0.500HO2 : 8.37d-14;
PRN1 + MO2 = NO2 + 0.500CH2O + 0.500ALD2 +
0.250RCHO + 0.750CH2O + 0.250MOH +
0.250ROH + 0.500HO2 : 8.37d-14;
EOH + OH = HO2 + ALD2 : 3.35d-12; {2013/02/12; JPL 10-6; BHH,JMAO,EAM}
ROH + OH = HO2 + RCHO : GCARR_ac(4.40d-12, 70.0d0); {2023/04/18; JPL 19-5; KHB}
ETO2 + ETO2 = 1.600ALD2 +
0.400EOH + 1.200HO2 : 6.80d-14;
OTHRO2 + OTHRO2 = 1.600ALD2 +
0.400EOH + 1.200HO2 : 6.80d-14; {2019/05/10; Fisher2018; JAF}
HO2 + ETO2 = ETP : GCARR_ac(7.50d-13, 700.0d0); {2023/04/18; JPL 19-5; KHB}
HO2 + OTHRO2 = ETP : GCARR_ac(7.50d-13, 700.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; JPL 19-5; KHB}
A3O2 + HO2 = RA3P : GC_RO2HO2_aca(2.91d-13, 1300.0d0, 3.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
PO2 + HO2 = PP : GC_RO2HO2_aca(2.91d-13, 1300.0d0, 3.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
RCO3 + HO2 = 0.410RP + 0.150RCOOH +
0.150O3 + 0.440OH + 0.220OTHRO2 +
0.030A3O2 + 0.120B3O2 + 0.430CO2 : GCARR_ac(4.30d-13, 1040.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; Bates2023; KHB}
PRPE + OH {+M} = PO2 : GCJPLPR_abab(4.60d-27, 4.0d0, 2.6d-11, 1.3d0, 0.5d0); {2017/02/22; JPL 15-10; BHH,MJE}
PRPE + O3 = 0.100CH4 + 0.280MO2 + 0.100CO2 +
0.120CH3CHOO + 0.500ALD2 + 0.220CH2OO +
0.500CH2O + 0.560CO + 0.280HO2 + 0.360OH : GCARR_ac(6.50d-15, -1900.0d0); {2015/09/25; Millet2015; DBM,EAM; 2023/04/18; JPL 19-5; KHB}
GLYC + OH = 0.732CH2O + 0.361CO2 +
0.505CO + 0.227OH + 0.773HO2 +
0.134GLYX + 0.134HCOOH : GC_GLYCOH_A_a(8.00d-12); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
GLYC + OH = HCOOH + OH + CO : GC_GLYCOH_B_a(8.00d-12); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
// --- GLYC chemistry --> PHAN - currenty no RO2 RO2
GLYC + OH = 0.200GLYX + 0.200HO2 +
0.800GCO3 : 1.0d-11; {krt, MCM}
GLYC + NO3 = GCO3 + HNO3 : GCARR_ac(1.44d-12,-1862.0d0); {krt, MCM}
GCO3 + NO2 {+M} = PHAN : GCJPLPR_abab(9.70d-29, 5.6d+00, 9.3d-12, 1.5d0, 0.6d0); {JPL Eval 17}
PHAN = GCO3 + NO2 : GCJPLEQ_acabab(9.30d-29, 14000.0d0, 9.7d-29, 5.6d0, 9.3d-12, 1.5d0, 0.6d0);
GCO3 + NO = NO2 + HO2 + CH2O : GCARR_ac(7.5d-12,290d0); {krt, MCM}
GCO3 + HO2 = 0.440HO2 + 0.440CH2O +
0.440OH + 0.560HACTA + 0.150O3 + 0.440CO2 : GCARR_ac(5.2d-13,980d0); {krt,MCM}
GCO3 + NO3 = CH2O + HO2 + NO2 : 4.0d-12;
PHAN + OH = CH2O + CO + NO2 : 1.12d-12; {krt, MCM}
HACTA + OH = CH2O + HO2 : 2.73d-12; {krt, MCM}
//
PRPE + NO3 = PRN1 : GCARR_ac(4.59d-13, -1156.0d0);
GLYX + OH = HO2 + 2.000CO : GCARR_ac(3.10d-12, 340.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
MGLY + OH = MCO3 + CO : GCARR_ac(1.90d-12, 575.0d0); {2023/04/18; Atkinson2006; KHB}
GLYX + NO3 = HNO3 + HO2 + 2.000CO : GC_GLYXNO3_ac(1.40d-12, -1860.0d0);
MGLY + NO3 = HNO3 + CO + MCO3 : GCARR_ac(3.36d-12, -1860.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
HAC + OH = MGLY + HO2 : GC_HACOH_A_ac(2.00d-12, 320.0d0); {2023/04/18; Atkinson2006; KHB}
HAC + OH = 0.500HCOOH + OH + 0.500ACTA +
0.500CO2 + 0.500CO + 0.500MO2 : GC_HACOH_B_ac(2.00d-12, 320.0d0); {2023/04/18; Atkinson2006; KHB}
PRPN + OH = 0.209PRN1 + 0.791OH +
0.791PROPNN : GCARR_ac(8.78d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
ETP + OH = 0.640OH + 0.360OTHRO2 +
0.640ALD2 : GCARR_ac(5.18d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
RA3P + OH = 0.640OH + 0.360A3O2 +
0.640RCHO : GCARR_ac(5.18d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
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 = 0.790OH + 0.210R4O2 + 1.185RCHO : GCARR_ac(8.78d-12, 200.0d0); {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE; 2023/04/18; Bates2023; KHB}
ALK4P + OH = 0.790OH + 0.210ALK4O2 +
1.185RCHO : 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}
OH + MAP = 0.780MCO3 + 0.220OH +
0.220CO2 + 0.220CH2O : 3.00d-14; {2023/04/18; Atkinson2006; KHB}
C2H6 + NO3 = ETO2 + HNO3 : 1.40d-18; {2013/03/22; Paulot2009; FP,EAM,JMAO,MJE}
MCO3 + MCO3 = 2.000MO2 + 2.000CO2 : GCARR_ac(2.90d-12, 500.0d0); {2023/04/18; JPL 19-5, Bates2023; KHB}
MCO3 + MO2 = 0.1ACTA + CH2O +
0.9MO2 + 0.9HO2 + 0.9CO2: GCARR_ac(2.00d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
R4O2 + MCO3 = 0.271MEK + 0.100ACTA +
0.900MO2 + 0.290ACET + 0.243HO2 +
0.290ALD2 + 0.290OTHRO2 + 0.255RCHO
+ 0.045A3O2 + 0.162B3O2 + 0.900CO2: GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
ALK4O2 + MCO3 = 0.271MEK + 0.100ACTA +
0.900MO2 + 0.290ACET + 0.243HO2 +
0.290ALD2 + 0.290OTHRO2 + 0.255RCHO
+ 0.045A3O2 + 0.162B3O2 + 0.900CO2: GCARR_ac(1.87d-12, 500.0d0); {2023/05/14; Brewer2023; JFB}
ATO2 + MCO3 = 0.900MO2 + 0.900MCO3 +
0.900CH2O + 0.100MGLY + 0.100ACTA +
0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
KO2 + MCO3 = 0.900MO2 + 0.900MCO3 +
0.900ALD2 + 0.100MEK + 0.100ACTA +
0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
B3O2 + MCO3 = 0.900MO2 + 0.900HO2 +
ACET + 0.100ACTA + 0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
R4N1 + MCO3 = 0.900MO2 + 0.100ACTA +
0.613RCHO + 0.351CH2O + 0.675ALD2 +
0.270R4O2 + 0.645CO2 + NO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
ALK4N1 + MCO3 = 0.900MO2 + 0.100ACTA +
0.613RCHO + 0.351CH2O + 0.675ALD2 +
0.270R4O2 + 0.645CO2 + NO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/05/14; Brewer2023; JFB}
PRN1 + MCO3 = 0.900MO2 + 0.900CH2O +
0.900CO2 + 0.900ALD2 + 0.100RCHO +
0.100ACTA + NO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
ETO2 + MCO3 = 0.900MO2 + ALD2 +
0.900HO2 + 0.100ACTA + 0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
OTHRO2 + MCO3 = 0.900MO2 + ALD2 +
0.900HO2 + 0.100ACTA + 0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; Bates2023; KHB}
PO2 + MCO3 = 0.900MO2 + 0.900HO2 +
0.900ALD2 + 0.900CH2O + 0.065HAC +
0.035RCHO + 0.100ACTA + 0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
A3O2 + MCO3 = 0.900MO2 + 0.900HO2 +
RCHO + 0.100ACTA + 0.900CO2 : GCARR_ac(1.87d-12, 500.0d0); {2023/04/18; Bates2023; KHB}
RCO3 + MCO3 = MO2 + 0.490OTHRO2 +
0.070A3O2 + 0.270B3O2 + 2.000CO2 : GCARR_ac(2.50d-12, 500.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; Bates2023; KHB}
RCO3 + MO2 = CH2O + CO2 + HO2 +
0.490OTHRO2 + 0.070A3O2 + 0.270B3O2 : GCARR_ac(1.87d-12, 500.0d0); {2019/05/10; Fisher2018; JAF; 2023/04/18; Bates2023; KHB}
NO3 + NO3 = 2.000NO2 + O2 : GCARR_ac(8.50d-13, -2450.0d0);
MO2 + NO2 {+M} = MPN {+M} : GCJPLPR_abab(1.00d-30, 4.8d+00, 7.2d-12, 2.1d0, 0.6d0); {2012/02/12; Browne2011; ECB}
MPN {+M} = MO2 + NO2 : GCJPLPR_abcabc(1.05d-02, 4.8d+00, -11234.0d0, 7.58d16, 2.1d0, -11234.0d0, 0.6d0); {2012/02/12; Browne2011; ECB}
DMS + OH = SO2 + MO2 + CH2O : GCARR_ac(1.20d-11, -280.0d0);
DMS + OH = 0.750SO2 + 0.250MSA + MO2 : GC_DMSOH_acac(8.20d-39, 5376.0d0, 1.05d-5, 3644.0d0);
DMS + NO3 = SO2 + HNO3 + MO2 + CH2O : GCARR_ac(1.90d-13, 530.0d0);
SO2 + OH {+M} = SO4 + HO2 + PH2SO4 : GCJPLPR_abab(2.90d-31, 4.1d+00, 1.7d-12, -0.2d0, 0.6d0); {2023/04/18; JPL 19-5; KHB}
Br + O3 = BrO + O2 : GCARR_ac(1.60d-11, -780.0d0); {2012/06/07; Parrella2012; JPP}
BrO + HO2 = HOBr + O2 : GCARR_ac(4.50d-12, 460.0d0); {2012/06/07; Parrella2012; JPP}
Br + HO2 = HBr + O2 : GCARR_ac(4.80d-12, -310.0d0); {2012/06/07; Parrella2012; JPP}
HBr + OH = Br + H2O : GCARR_ac(5.50d-12, 200.0d0); {2012/06/07; Parrella2012; JPP}
BrO + BrO = 2.000Br + O2 : GCARR_ac(2.40d-12, 40.0d0); {2012/06/07; Parrella2012; JPP}
BrO + BrO = Br2 + O2 : GCARR_ac(2.80d-14, 860.0d0); {2012/06/07; Parrella2012; JPP}
BrO + NO = Br + NO2 : GCARR_ac(8.80d-12, 260.0d0); {2012/06/07; Parrella2012; JPP}
Br + BrNO3 = Br2 + NO3 : 4.90d-11; {2012/06/07; Parrella2012; JPP}
Br2 + OH = HOBr + Br : GCARR_ac(2.10d-11, 240.0d0); {2012/06/07; Parrella2012; JPP}
HOBr + O = OH + BrO : GCARR_ac(1.20d-10, -430.0d0); {2014/02/03; Eastham2014; SDE}
HBr + O = OH + Br : GCARR_ac(5.80d-12, -1500.0d0); {2014/02/03; Eastham2014; SDE}
BrO + OH = Br + HO2 : GCARR_ac(1.70d-11, 250.0d0); {2012/06/07; Parrella2012; JPP}
Br + NO3 = BrO + NO2 : 1.60d-11; {2012/06/07; Parrella2012; JPP}
Br + CH2O = HBr + HO2 + CO : GCARR_ac(1.70d-11, -800.0d0); {2012/06/07; Parrella2012; JPP}
Br + ALD2 = HBr + MCO3 : GCARR_ac(1.80d-11, -460.0d0); {2017/07/27; Parrella2012,Fix C creation; SAS,BHH,MJE}
Br + ACET = HBr + ATO2 : GCARR_ac(1.66d-10, -7000.0d0); {2017/07/27; Parrella2012,Fix C creation; SAS,BHH,MJE}
Br + C2H6 = HBr + ETO2 : GCARR_ac(2.36d-10, -6411.0d0); {2017/07/27; Parrella2012,Fix C creation; SAS,BHH,MJE}
Br + C3H8 = HBr + A3O2 : GCARR_ac(8.77d-11, -4330.0d0); {2017/07/27; Parrella2012,Fix C creation; SAS,BHH,MJE}
Br + NO2 {+M} = BrNO2 {+M} : GCJPLPR_aba(4.20d-31, 2.4d0, 2.7d-11, 0.6d0); {2012/06/07; Parrella2012; JPP}
BrO + NO2 {+M} = BrNO3 {+M} : GCJPLPR_abab(5.40d-31, 3.1d0, 6.5d-12, 2.9d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
CHBr3 + OH = 3.000Br : GCARR_ac(9.00d-13, -360.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
CH2Br2 + OH = 2.000Br : GCARR_ac(2.00d-12, -840.0d0); {2012/06/07; Parrella2012; JPP}
CH3Br + OH = Br + H2O + HO2 : GCARR_ac(1.42d-12, -1150.0d0); {2017/03/08; JPL 15-10; TS,BHH,MJE}
O1D + H2O = 2.000OH : GCARR_ac(1.63d-10, 60.0d0); {2014/02/03; Eastham2014; SDE}
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 = 0.390N2 + 0.390O2 + 1.220NO : GCARR_ac(1.19d-10, 20.0d0); {2014/02/03; Eastham2014; SDE}
O1D + CH4 = 0.750MO2 + 0.750OH +
0.200H + 0.200HO2 + 0.050H2 + 0.250CH2O : 1.75d-10; {2014/02/03; Eastham2014; SDE}
O + O2 {+M} = O3 {+M} : GCARR_ab(6.00d-34, 2.4d0)*NUMDEN; {2014/02/03; Eastham2014; SDE}
O + O3 = 2.000O2 : GCARR_ac(8.00d-12, -2060.0d0); {2014/02/03; Eastham2014; SDE}
OH + H2 = H2O + H : GCARR_ac(2.80d-12, -1800.0d0); {2014/02/03; Eastham2014; SDE}
O + OH = O2 + H : GCARR_ac(1.80d-11, 180.0d0); {2014/02/03; Eastham2014; SDE}
HO2 + O = OH + O2 : GCARR_ac(3.00d-11, 200.0d0); {2014/02/03; Eastham2014; SDE}
O1D + O3 = O + 1.500O2 : 2.40d-10; {2014/02/03; Eastham2014; SDE}
OCS + O = CO + SO2 : GCARR_ac(2.10d-11, -2200.0d0); {2014/02/03; Eastham2014; SDE}
OCS + OH = CO2 + SO2 : GCARR_ac(7.20d-14, -1070.0d0); {2023/04/18; JPL 19-5; KHB}
NO2 + O = NO + O2 : GCJPLAC_ababac(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 5.3d-12, 2.0d2, 0.6d0); {2023/04/18; JPL 19-5; KHB}
NO3 + O = NO2 + O2 : 1.30d-11; {2023/04/18; JPL 19-5; KHB}
NO + O {+M} = NO2 {+M} : GCJPLPR_aba(9.00d-32, 1.5d+00, 3.0d-11, 0.6d0); {2014/02/03; Eastham2014; SDE}
NO2 + O {+M} = NO3 {+M} : GCJPLPR_abab(3.4d-31, 1.6d0, 2.3d-11, 0.2d0, 0.6d0); {2023/04/18; JPL 19-5; KHB}
H2O2 + O = OH + HO2 : GCARR_ac(1.40d-12, -2000.0d0); {2014/02/03; Eastham2014; SDE}
H + O2 {+M} = HO2 {+M} : GCJPLPR_abab(5.30d-32, 1.8d+00, 9.5d-11, -0.4d0, 0.6d0); {2023/04/18; JPL 19-5; KHB}
H + O3 = OH + O2 : GCARR_ac(1.40d-10, -470.0d0); {2014/02/03; Eastham2014; SDE}
H + HO2 = 1.788OH + 0.020O +
0.020H2O + 0.086H2 + 0.086O2 : 8.05d-11; {2014/02/03; Eastham2014; SDE}
N + O2 = NO + O : GCARR_ac(3.30d-12, -3150.0d0); {2023/04/18; JPL 19-5; KHB}
N + NO = N2 + O : GCARR_ac(2.10d-11, 100.0d0); {2014/02/03; Eastham2014; SDE}
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 = 0.120O + 0.120HCl + 0.220H +
0.660Cl + 0.220ClO + 0.660OH : 1.50d-10; {2023/04/18; JPL 19-5; KHB}
O1D + HBr = 0.200O + 0.200HBr + 0.200BrO +
0.600OH + 0.200H + 0.600Br : 1.50d-10; {2023/04/18; JPL 19-5; KHB}
O1D + Cl2 = 0.250O + 0.250Cl2 + 0.750Cl +
0.750ClO : 2.70d-10; {2014/02/03; Eastham2014; SDE}
O1D + CCl4 = 0.210O + 0.210CCl4 +
0.790ClO + 2.370Cl : 3.30d-10; {2023/04/18; JPL 19-5; KHB}
O1D + CH3Cl = 0.100O + 0.100CH3Cl +
0.460ClO + 0.350Cl + 0.090H + 0.900MO2 : 2.60d-10; {2023/04/18; JPL 19-5; KHB}
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 = 0.300O + 0.300CHBr3 +
0.700BrO + 1.400Br : 6.60d-10; {2023/04/18; JPL 19-5; KHB}
O1D + HCFC22 = 0.250O + 0.250HCFC22 +
0.560ClO + 0.190Cl + 0.050OH : 1.02d-10; {2023/04/18; JPL 19-5; KHB}
O1D + CFC11 = 0.100O + 0.100CFC11 +
0.900ClO + 1.800Cl : 2.30d-10; {2023/04/18; JPL 19-5; KHB}
O1D + CFC12 = 0.140O + 0.140CFC12 +
0.860ClO + 0.860Cl : 1.40d-10; {2014/02/03; Eastham2014; SDE}
O1D + H1211 = 0.350O + 0.350H1211 +
0.310BrO + 0.310Cl + 0.340Br + 0.340ClO : 1.50d-10; {2023/04/18; JPL 19-5; KHB}
O1D + H1301 = 0.550O + 0.550H1301 +
0.450BrO : 1.00d-10; {2023/04/18; JPL 19-5; KHB}
O1D + HCFC141b = 0.310O + 0.310HCFC141b +
0.690ClO + 0.690Cl : 2.60d-10; {2014/02/03; Eastham2014; SDE}
O1D + HCFC142b = 0.350O + 0.350HCFC142b +
0.650ClO : 2.00d-10; {2023/04/18; JPL 19-5; KHB}
O1D + HCFC123 = 0.210O + 0.210HCFC123 +
0.790Cl + 0.790ClO : 2.00d-10; {2014/02/03; Eastham2014; SDE}
O1D + CFC113 = 0.100O + 0.100CFC113 +
1.900Cl + 0.800ClO : 2.32d-10; {2023/04/18; JPL 19-5; KHB}
O1D + CFC114 = 0.100O + 0.100CFC114 +
0.950Cl + 0.850ClO : GCARR_ac(1.30d-10, 25.0d0); {2023/04/18; JPL 19-5; KHB}
O1D + CFC115 = 0.140O + 0.140CFC115 +
0.860ClO : GCARR_ac(5.40d-11, 30.0d0); {2023/04/18; JPL 19-5; KHB}
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}
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}
OH + Cl2O2 = HOCl + ClOO : GCARR_ac(6.00d-13, 670.0d0); {2014/02/03; Eastham2014; SDE}
OH + HCl = H2O + Cl : GCARR_ac(1.80d-12, -250.0d0); {2014/02/03; Eastham2014; SDE}
OH + HOCl = H2O + ClO : GCARR_ac(3.00d-12, -500.0d0); {2014/02/03; Eastham2014; SDE}
OH + ClNO2 = HOCl + NO2 : GCARR_ac(2.40d-12, -1250.0d0); {2014/02/03; Eastham2014; SDE}
OH + ClNO3 = HOCl + NO3 : GCARR_ac(1.20d-12, -330.0d0); {2014/02/03; Eastham2014; SDE}
OH + CH3Cl = Cl + HO2 + H2O : GCARR_ac(1.96d-12, -1200.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
OH + CH2Cl2 = 2.000Cl + HO2 : GCARR_ac(1.92d-12, -880.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
OH + CHCl3 = 3.000Cl + HO2 : GCARR_ac(2.20d-12, -920.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
OH + CH3CCl3 = 3.000Cl + H2O : GCARR_ac(1.64d-12, -1520.0d0); {2014/02/03; Eastham2014; SDE}
OH + HCFC22 = Cl + H2O : GCARR_ac(9.20d-13, -1560.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
OH + HCFC141b = 2.000Cl + H2O : GCARR_ac(1.25d-12, -1600.0d0); {2014/02/03; Eastham2014; SDE}
OH + HCFC142b = Cl + H2O : GCARR_ac(1.30d-12, -1770.0d0); {2014/02/03; Eastham2014; SDE}
OH + HCFC123 = 2.000Cl + H2O : GCARR_ac(7.40d-13, -900.0d0); {2017/02/22; JPL 15-10; BHH,MJE}
CH4 + Cl = HCl + MO2 : GCARR_ac(7.10d-12, -1270.0d0); {2017/03/08; JPL 15-10; TS,BHH,MJE}
CH2O + Cl = CO + HCl + HO2 : GCARR_ac(8.10d-11, -30.0d0); {2017/09/22; Sherwen2016b; TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
Cl + O3 = ClO + O2 : GCARR_ac(2.30d-11, -200.0d0); {2014/02/03; Eastham2014; SDE}
Cl + H2 = H + HCl : GCARR_ac(3.05d-11, -2270.0d0); {2014/02/03; Eastham2014; SDE}
Cl + H2O2 = HO2 + HCl : GCARR_ac(1.10d-11, -980.0d0); {2014/02/03; Eastham2014; SDE}
Cl + HO2 = O2 + HCl : GCARR_ac(1.40d-11, 270.0d0); {2014/02/03; Eastham2014; SDE}
Cl + HO2 = OH + ClO : GCARR_ac(3.60d-11, -375.0d0); {2014/02/03; Eastham2014; SDE}
ClO + O = Cl + O2 : GCARR_ac(2.80d-11, 85.0d0); {2014/02/03; Eastham2014; SDE}
ClO + HO2 = O2 + HOCl : GCARR_ac(2.60d-12, 290.0d0); {2014/02/03; Eastham2014; SDE}
ClO + NO = Cl + NO2 : GCARR_ac(6.40d-12, 290.0d0); {2014/02/03; Eastham2014; SDE}
ClO + NO2 {+M} = ClNO3 {+M} : GCJPLPR_abab(1.80d-31, 3.4d+00, 1.50d-11, 1.9d0, 0.6d0); {2014/02/03; Eastham2014; SDE}
ClO + ClO = Cl2 + O2 : GCARR_ac(1.00d-12, -1590.0d0); {2014/02/03; Eastham2014; SDE}
ClO + ClO = Cl + ClOO : GCARR_ac(3.00d-11, -2450.0d0); {2014/02/03; Eastham2014; SDE}
ClO + ClO = OClO + Cl : GCARR_ac(3.50d-13, -1370.0d0); {2014/02/03; Eastham2014; SDE}
Cl + O2 {+M} = ClOO {+M} : GCJPLPR_aba(2.20d-33, 3.1d+00, 1.8d-10, 0.6d0); {2014/02/03; Eastham2014; SDE}
ClOO {+M} = Cl + O2 {+M} : GCJPLEQ_acabab(6.60d-25, 2502.0d0, 2.20d-33, 3.1d+00, 1.8d-10, 0.0d0, 0.6d0); {JPL 15-10; XW}
ClO + ClO {+M} = Cl2O2 {+M} : GCJPLPR_abab(1.90d-32, 3.6d+00, 3.7d-12, 1.6d0, 0.6d0); {2017/02/22; JPL 15-10; BHH,MJE}
Cl2O2 {+M} = 2.000ClO {+M} : GCJPLEQ_acabab(2.16d-27, 8537.0d0, 1.90d-32, 3.6d+00, 3.7d-12, 1.6d0, 0.6d0); {JPL 15-10; XW}
ClOO + Cl = 0.950Cl2 + 0.950O2 + 0.100ClO : 2.42d-10; {2014/02/03; Eastham2014; SDE}
ClO + BrO = Br + OClO : GCARR_ac(9.50d-13, 550.0d0); {2014/02/03; Eastham2014; SDE}
ClO + BrO = Br + ClOO : GCARR_ac(2.30d-12, 260.0d0); {2014/02/03; Eastham2014; SDE}
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(2.03d-11, -1110.0d0); {2014/02/03; Eastham2014; SDE; 2023/04/18; JPL 19-5; KHB}
CH2Cl2 + Cl = CO + HCl + 2.000Cl + HO2 : GCARR_ac(7.40d-12, -910.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
CHCl3 + Cl = CO + HCl + 3.000Cl + HO2 : GCARR_ac(3.30d-12, -990.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
Cl + HCOOH = HCl + CO2 + H2O : 2.00d-13; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + MO2 = ClO + CH2O + HO2 : 1.60d-10; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + MP = HCl + MO2 : 5.7d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + C2H6 = HCl + ETO2 : GCARR_ac(7.2d-11, -70.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ETO2 = ClO + HO2 + ALD2 : 7.4d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + OTHRO2 = ClO + HO2 + ALD2 : 7.4d-11; {2019/05/10; Fisher2018; JAF}
Cl + MOH = HCl + CH2O + HO2 : 5.5d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + EOH = HCl + ALD2 : 9.6d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ACTA = HCl + MO2 + CO2 : 2.8d-14; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + C3H8 = HCl + B3O2 : GCARR_ac(6.54d-11, 60.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + C3H8 = HCl + A3O2 : GCARR_ac(8.12d-11, -90.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
Cl + ACET = HCl + ATO2 : GCARR_ac(1.63d-11, -610.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
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 + 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, 1.70d-11, 0.6d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
INO + INO = I2 + 2.000NO : GCARR_ac(8.40d-11, -2620.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I + NO2 {+M} = IONO {+M} : GCJPLPR_aba(3.00d-31, 1.0d0, 6.6d-11, 0.6d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
IONO {+M} = I + NO2 {+M} : GCARR_ac(9.94d+17, -11859.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IONO + IONO = I2 + 2.000NO2 : GCARR_ac(2.90d-11, -2600.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I2 + NO3 = I + IONO2 : 1.50d-12; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IO + NO2 {+M} = IONO2 {+M} : GCJPLPR_abab(7.50d-31, 3.5d0, 7.6d-12, 1.5d0, 0.6d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IONO2 {+M} = IO + NO2 {+M} : GCARR_ac(2.10d+15, -13670.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IONO2 + I = I2 + NO3 : GCARR_ac(9.10d-11, -146.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I + BrO = IO + Br : 1.20d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IO + BrO = 0.8OIO + Br + 0.2I + 0.2O2 : GCARR_ac(5.50d-12, 760.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
IO + OIO {+M} = I2O3 {+M} : 1.00d-10; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
OIO + OIO = I2O4 : 1.50d-10; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I2O4 {+M} = 2.000OIO {+M} : 3.80d-02; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
OIO + NO = IO + NO2 : GCARR_ac(1.10d-12, 542.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IO + ClO = 0.809I + 0.560OClO +
0.249Cl + 0.191ICl + 0.440O2 : GCARR_ac(4.82d-12, 280.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
I + O3 = IO + O2 : GCARR_ac(2.00d-11, -830.0d0); {2017/09/22; Sherwen2017;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
I + HO2 = HI + O2 : GCARR_ac(1.50d-11, -1090.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
I2 + OH = HOI + I : 1.80d-10; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
HI + OH = I + H2O : 3.00d-11; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
HOI + OH = IO + H2O : 5.00d-12; {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IO + HO2 = HOI + O2 : GCARR_ac(1.30d-11, 570.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE}
IO + NO = I + NO2 : GCARR_ac(8.60d-12, 230.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
IO + IO = 0.400I + 0.400OIO + 0.600I2O2: GCARR_ac(1.50d-11, 500.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; JPL 19-5; KHB}
I2O2 {+M} = 0.008IO + 0.996I +
0.996OIO {+M} : GCARR_ac(2.51d+14, -9770.0d0); {2017/09/22; Sherwen2016b;TS,JAS,SDE; 2023/04/18; Bates2023; KHB}