Chemical Species

Here is a list of the chemical species in the mechanism:

using GasChem, DataFrames, EarthSciMLBase, ModelingToolkit, DynamicQuantities
using ModelingToolkit: t
gc = mtkcompile(GEOSChemGasPhase())
vars = unknowns(gc)
DataFrame(
    :Name => [string(Symbolics.tosymbol(v, escape = false)) for v in vars],
    :Units => [ModelingToolkit.get_unit(v) for v in vars],
    :Description => [ModelingToolkit.getdescription(v) for v in vars],
    :Default => [ModelingToolkit.getdefault(v) for v in vars])
272×4 DataFrame
RowNameUnitsDescriptionDefault
StringQuantity…StringFloat64
1RCOOH1.0 C2H5C(O)OH; > C2 organic acids 0.0
2XRO21.0 Peroxy radical from XYLE oxidation0.0
3XYLE1.0 C8H10; Xylene0.0
4TRO21.0 Peroxy radical from TOLU oxidation0.0
5TOLU1.0 C7H8; Toluene0.0
6SO4s1.0 SO4 on sea-salt; Sulfate0.0
7SO41.0 SO4; Sulfate0.0
8SO21.0 SO2; Sulfur dioxide0.0
9SALCCL1.0 Cl; Coarse chloride0.0
10SALACL1.0 Cl; Fine chloride0.0
11SALCAL1.0 Coarse mode seasalt aerosol alkalinity0.0
12SALAAL1.0 Accumulation mode seasalt aerosol alkalinity0.0
13RP1.0 CH3CH2C(O)OOH; Peroxide from RCO30.0
14ROH1.0 C3H7OH; > C2 alcohols0.0
15RIPD1.0 C5H10O3; d(4,1)-ISOPOOH0.0
16RIPC1.0 C5H10O3; d(1,4)-ISOPOOH0.0
17RIPB1.0 HOCH2C(OOH)(CH3)CH=CH2; 4,3-ISOPOOH0.0
18RIPA1.0 HOCH2C(OOH)(CH3)CH=CH2; 1,2-ISOPOOH0.0
19RCO31.0 CH3CH2C(O)OO; Peroxypropionyl radical0.0
20RCHO1.0 CH3CH2CHO; >= C3 aldehydes0.0
21RB3P1.0 CH3CH(OOH)CH3; Peroxide from B3O20.0
22RA3P1.0 CH3CH2CH2OOH; Peroxide from A3O20.0
23R4P1.0 CH3CH2CH2CH2OOH; Peroxide from R4O20.0
24R4O21.0 RO2 from ALK40.0
25R4N21.0 RO2NO; >= C4 alkylnitrates0.0
26R4N11.0 RO2 from R4N20.0
27PYAC1.0 CH3COCOOH; Pyruvic acid0.0
28PRPN1.0 O2NOCH2CH(OOH)CH3; Peroxide from PRN10.0
29PRPE1.0 C3H6; >= C3 alkenes0.0
30PROPNN1.0 CH3C(=O)CH2ONO2; Propanone nitrate0.0
31PRN11.0 O2NOCH2CH(OO)CH3; RO2 from propene + NO30.0
32PPN1.0 CH3CH2C(O)OONO2; Peroxypropionylnitrate0.0
33PP1.0 HOCH2CH(OOH)CH3; Peroxide from PO20.0
34PO21.0 HOCH2CH(OO)CH3; RO2 from propene0.0
35PIP1.0 Peroxides from MTPA0.0
36PIO21.0 RO2 from MTPA0.0
37PHEN1.0 phenol0.0
38PAN1.0 CH3C(O)OONO2; Peroxyacetylnitrate0.0
39OTHRO21.0 Other C2 RO2 not from C2H6 oxidation0.0
40OLNN1.0 Monoterpene-derived NO3 adduct0.0
41OLND1.0 Monoterpene-derived NO3-alkene adduct0.0
42OIO1.0 OIO; Iodine dioxide0.0
43OH1.0 OH; Hydroxyl radical4.0e-6
44OCS1.0 COS; Carbonyl sulfide9.0e-6
45OClO1.0 OClO; Chlorine dioxide0.0
46O31.0 O3; Ozone20.0
47O1D1.0 O(1D); Excited atomic oxygen1.0e-6
48O1.0 O(3P); Ground state atomic oxygen0.0
49NRO21.0 Peroxy radical from NAP oxidation0.0
50NPRNO31.0 C3H8ONO2; n-propyl nitrate0.0
51NPHEN1.0 nitrophenols0.0
52NO31.0 NO3; Nitrate radical4.0e-6
53NO21.0 NO2; Nitrogen dioxide0.0004
54NO1.0 NO; Nitric oxide0.0004
55NITs1.0 NITs; Coarse mode inorganic nitrate0.0
56NIT1.0 NIT; Fine mode inorganic nitrate0.0
57NAP1.0 C10H8; Naphthalene; IVOC surrogate0.0
58N2O51.0 N2O5; Dinitrogen pentoxide4.0e-6
59N2O1.0 N2O; Nitrous oxide300.0
60N1.0 N; Atomic nitrogen4.0e-11
61MVKPC1.0 OCHCH(OOH)C(O)CH3; MVK hydroperoxy-carbonyl0.0
62MVKOHOO1.0 peroxy radical from MVK + OH0.0
63MVKN1.0 HOCH2CH(ONO2)C(=O)CH3; Hydroxynitrate from MVK0.0
64MVKHP1.0 C4H8O4; MVK hydroxy-hydroperoxide0.0
65MVKHCB1.0 C4H6O3; MVK hydroxy-carbonyl0.0
66MVKHC1.0 C4H6O3; MVK hydroxy-carbonyl0.0
67MVKDH1.0 HOCH2CH2OHC(O)CH3; Dihydroxy-MVK0.0
68MVK1.0 CH2=CHC(=O)CH3; Methyl vinyl ketone0.0
69MTPO1.0 Other monoterpenes: Terpinene, terpinolene, myrcene, ocimene, other monoterpenes0.0
70MTPA1.0 Lumped monoterpenes: a-pinene, b-pinene, sabinene, carene0.0
71MSA1.0 CH4SO3; Methanesulfonic acid0.0
72MPN1.0 CH3O2NO2; Methyl peroxy nitrate0.0
73MPAN1.0 CH2=C(CH3)C(O)OONO2; Peroxymethacroyl nitrate (PMN)0.0
74MP1.0 CH3OOH; Methylhydroperoxide4.0e-6
75MONITU1.0 Unsaturated 1st gen monoterpene organic nitrate0.0
76MONITS1.0 Saturated 1st gen monoterpene organic nitrate0.0
77MONITA1.0 Aerosol-phase organic nitrate from monoterpene precursors0.0
78MOH1.0 CH3OH; Methanol0.0
79MO21.0 CH3O2; Methylperoxy radical4.0e-6
80MGLY1.0 CH3COCHO; Methylglyoxal0.0
81MENO31.0 CH3ONO2; methyl nitrate0.0
82MEK1.0 RC(O)R; Methyl ethyl ketone0.0
83MCT1.0 methylcatechols0.0
84MCROHOO1.0 peroxy radical from MACR + OH0.0
85MCRHP1.0 HOCH2C(OOH)(CH3)CHO; Hydroxy-hydroperoxy-MACR0.0
86MCRHNB1.0 O2NOCH2C(OH)(CH3)CHO; Hydroxynitrate from MACR0.0
87MCRHN1.0 HOCH2C(ONO2)(CH3)CHO; Hydroxynitrate from MACR0.0
88MCRENOL1.0 C4H6O2; Lumped enols from MVK/MACR0.0
89MCRDH1.0 C4H8O3; Dihydroxy-MACR0.0
90MCO31.0 CH3C(O)OO; Peroxyacetyl radical0.0
91MAP1.0 CH3C(O)OOH; Peroxyacetic acid0.0
92MACRNO21.0 Product of MCRHN + OH0.0
93MACR1OOH1.0 CH2=C(CH3)C(O)OOH; Peracid from MACR0.0
94MACR1OO1.0 peroxyacyl radical from MACR + OH0.0
95MACR1.0 CH2=C(CH3)CHO; Methacrolein0.0
96LXRO2N1.0 Dummy spc to track oxidation of XRO2 by NO0.0
97LXRO2H1.0 Dummy spc to track oxidation of XRO2 by HO20.0
98LVOC1.0 C5H14O5; Gas-phase low-volatility non-IEPOX product of ISOPOOH (RIP) oxidation0.0
99LTRO2N1.0 Dummy spc to track oxidation of TRO2 by NO0.0
100LTRO2H1.0 Dummy spc to track oxidation of TRO2 by HO20.0
101LNRO2N1.0 Dummy spc to track oxidation of NRO2 by NO0.0
102LNRO2H1.0 Dummy spc to track oxidation of NRO2 by HO20.0
103LISOPNO31.0 Dummy spc to track oxidation of ISOP by NO30.0
104LISOPOH1.0 Dummy spc to track oxidation of ISOP by OH0.0
105LIMO21.0 RO2 from LIMO0.0
106LIMO1.0 C10H16; Limonene0.0
107LBRO2N1.0 Dummy spc to track oxidation of BRO2 by NO0.0
108LBRO2H1.0 Dummy spc to track oxidation of BRO2 by HO20.0
109KO21.0 RO2 from >3 ketones0.0
110ITHN1.0 C5H11NO7; Lumped tetrafunctional isoprene hydroxynitrates0.0
111ITCN1.0 C5H9NO7; Lumped tetrafunctional isoprene carbonyl-nitrates0.0
112ISOPNOO21.0 peroxy radicals from IHN30.0
113ISOPNOO11.0 peroxy radicals from IHN20.03
114ISOP1.0 CH2=C(CH3)CH=CH2; Isoprene0.0
115IPRNO31.0 C3H8ONO2; Isopropyl nitrate0.0
116IONO21.0 IONO2; Iodine nitrate0.0
117IONO1.0 IONO; Nitryl iodide0.0
118IONITA1.0 Aerosol-phase organic nitrate from isoprene precursors0.0
119IO1.0 IO; Iodine monoxide0.0
120INPD1.0 C5H9NO5; Lumped isoprene delta-hydroperoxy nitrates0.0
121INPB1.0 C5H9NO5; Lumped isoprene beta-hydroperoxy nitrates0.0
122INO2D1.0 delta-peroxy radicals from isoprene + NO30.0
123INO2B1.0 beta-peroxy radicals from isoprene + NO30.0
124INO1.0 INO; Nitrosyl iodide0.0
125INDIOL1.0 Generic aerosol phase organonitrate hydrolysis product0.0
126INA1.0 alkoxy radical from INO2D0.0
127IHPOO31.0 peroxy radical from ISOPOOH0.0
128IHPOO21.0 peroxy radical from ISOPOOH0.0
129IHPOO11.0 peroxy radical from ISOPOOH0.0
130IHPNDOO1.0 peroxy radicals from INPD0.0
131IHPNBOO1.0 peroxy radicals from INPB0.0
132IHOO41.0 peroxy radical from OH addition to isoprene at C40.0
133IHOO11.0 peroxy radical from OH addition to isoprene at C10.0
134IHN41.0 C5H9NO4; Isoprene-d-1-hydroxy-4-nitrate0.0
135IHN31.0 C5H9NO4; Isoprene-b-4-hydroxy-3-nitrate0.0
136IHN21.0 C5H9NO4; Isoprene-b-1-hydroxy-2-nitrate0.0
137IHN11.0 C5H9NO4; Isoprene-d-4-hydroxy-1-nitrate0.0
138IEPOXD1.0 C5H10O3; Delta isoprene epoxydiol0.0
139IEPOXBOO1.0 peroxy radical from cis-Beta isoprene epoxydiol0.0
140IEPOXB1.0 C5H10O3; cis-Beta isoprene epoxydiol0.0
141IEPOXAOO1.0 peroxy radical from trans-Beta isoprene epoxydiol0.0
142IEPOXA1.0 C5H10O3; trans-Beta isoprene epoxydiol0.0
143IDNOO1.0 peroxy radicals from IDN0.0
144IDN1.0 C5H8N2O6; Lumped isoprene dinitrates0.0
145IDHPE1.0 C5H10O5; Isoprene dihydroxy hydroperoxy epoxide0.0
146IDHNDOO21.0 peroxy radicals from INPD0.0
147IDHNDOO11.0 peroxy radicals from INPD0.0
148IDHNBOO1.0 peroxy radicals from INPB0.0
149IDHDP1.0 C5H12O6; Isoprene dihydroxy dihydroperoxide0.0
150IDCHP1.0 C5H8O5; Isoprene dicarbonyl hydroxy dihydroperoxide0.0
151IDC1.0 C5H6O2; Lumped isoprene dicarbonyls0.0
152ICPDH1.0 C5H10O5; Isoprene dihydroxy hydroperoxycarbonyl0.0
153ICNOO1.0 peroxy radicals from ICN0.0
154ICN1.0 C5H7NO4; Lumped isoprene carbonyl nitrates0.0
155ICl1.0 ICl; Iodine monochloride0.0
156ICHOO1.0 peroxy radical from IEPOXD0.0
157ICHE1.0 C5H8O3; Isoprene hydroxy-carbonyl-epoxides0.0
158IBr1.0 IBr; Iodine monobromide0.0
159I2O41.0 I2O4; Diiodine tetraoxide0.0
160I2O31.0 I2O3; Diiodine trioxide0.0
161I2O21.0 I2O2; Diiodine dioxide0.0
162I21.0 I2; Molecular iodine0.0
163I1.0 I; Atomic iodine0.0
164HPETHNL1.0 CHOCH2OOH; hydroperoxyethanal0.0
165HPALD41.0 CH2=C(CH3)CHOOHCH=O; b-3,4-C5-hydroperoxyaldehyde0.0
166HPALD31.0 O=CHC(CH3)OOHCH=CH2; b-2,1-C5-hydroperoxyaldehyde0.0
167HPALD2OO1.0 peroxy radicals from HPALD20.0
168HPALD21.0 HOOCH2C(CH3)=CHCH=O; d-1,4-C5-hydroperoxyaldehyde0.0
169HPALD1OO1.0 peroxy radicals from HPALD10.0
170HPALD11.0 O=CHC(CH3)=CHCH2OOH; d-4,1-C5-hydroperoxyaldehyde0.0
171HONIT1.0 2nd gen monoterpene organic nitrate0.0
172HOI1.0 HOI; Hypoiodous acid0.0
173HOCl1.0 HOCl; Hypochlorous acid0.0
174HOBr1.0 HOBr; Hypobromous acid0.0
175HO21.0 HO2; Hydroperoxyl radical4.0e-6
176HNO41.0 HNO4; Pernitric acid4.0e-6
177HNO31.0 HNO3; Nitric acid4.0e-6
178HNO21.0 HONO; Nitrous acid4.0e-6
179HMS1.0 HOCH2SO3-; hydroxymethanesulfonate1.0e-6
180HMML1.0 C4H6O3; Hydroxymethyl-methyl-a-lactone0.0
181HMHP1.0 HOCH2OOH; Hydroxymethyl hydroperoxide0.0
182HI1.0 HI; Hydrogen iodide0.0
183HCOOH1.0 HCOOH; Formic acid0.0
184HCl1.0 HCl; Hydrochloric acid0.0
185HCFC221.0 CHClF2 ; HCFC-22, R-22, Freon 220.0
186HCFC142b1.0 C(CH3)ClF2; HCFC-142b, R-142b, Freon 142b0.0
187HCFC141b1.0 C(CH3)Cl2F; HCFC-141b, R-141b, Freon 141b0.0
188HCFC1231.0 C2HCl2F3; HCFC-123, R-123, Freon 1230.0
189HC5A1.0 C5H8O2; Isoprene-4,1-hydroxyaldehyde0.0
190HBr1.0 HBr; Hypobromic acid0.0
191HAC1.0 HOCH2C(O)CH3; Hydroxyacetone0.0
192H2O21.0 H2O2; Hydrogen peroxide4.0e-6
193H2O1.0 H2O; Water vapor1.84e7
194H24021.0 C2Br2F4; H-24020.0
195H13011.0 CBrF3; H-13010.0
196H12111.0 CBrClF2; H-12110.0
197H1.0 H; Atomic hydrogen0.0
198GLYX1.0 CHOCHO; Glyoxal0.0
199GLYC1.0 HOCH2CHO; Glycoaldehyde0.0
200ETP1.0 CH3CH2OOH; Ethylhydroperoxide0.0
201ETO21.0 CH3CH2OO; Ethylperoxy radical0.0
202ETOO1.0 hydroxy-peroxy-ethane radical, formed from ethene + OH0.0
203ETO1.0 hydroxy-alkoxy-ethane radical0.0
204ETNO31.0 C2H5ONO2; Ethyl nitrate0.0
205ETHP1.0 stable hydroxy-hydroperoxy-ethane0.0
206ETHN1.0 stable hydroxy-nitrooxy-ethane0.0
207ETHLN1.0 CHOCH2ONO2; Ethanal nitrate0.0
208EOH1.0 C2H5OH; Ethanol0.0
209DMS1.0 (CH3)2S; Dimethylsulfide0.0
210CSL1.0 cresols and xylols0.0
211CO21.0 CO2; Carbon dioxide355000.0
212CO1.0 CO; Carbon monoxide100.0
213ClOO1.0 ClOO; Chlorine dioxide0.0
214ClO1.0 ClO; Chlorine monoxide0.0
215ClNO31.0 ClONO2; Chlorine nitrate0.0
216ClNO21.0 ClNO2; Nitryl chloride0.0
217Cl2O21.0 Cl2O2; Dichlorine dioxide0.0
218Cl21.0 Cl2; Molecular chlorine0.0
219Cl1.0 Cl; Atomic chlorine0.0
220CHCl31.0 CHCl3; Chloroform0.0
221CHBr31.0 CHBr3; Tribromethane0.0
222CH41.0 CH4; Methane1800.0
223CH3I1.0 CH3I; Methyl iodide1.0e-11
224CH3Cl1.0 CH3Cl; Chloromethane0.0
225CH3CHOO1.0 CH3CHOO; Criegee intermediate0.0
226CH3CCl31.0 CH3CCl3; Methyl chloroform0.0
227CH3Br1.0 CH3Br; Methyl bromide0.0
228CH2OO1.0 CH2OO; Criegee intermediate0.0
229CH2O1.0 CH2O; Formaldehyde4.0e-6
230CH2ICl1.0 CH2ICl; Chloroiodomethane0.0
231CH2IBr1.0 CH2IBr; Bromoiodomethane0.0
232CH2I21.0 CH2I2; Diiodomethane0.0
233CH2Cl21.0 CH2Cl2; Dichloromethane0.0
234CH2Br21.0 CH3Br2; Dibromomethane0.0
235CFC1151.0 C2ClF5; CFC-115, Freon 1150.0
236CFC1141.0 C2Cl2F4; CFC-114, Freon 1140.0
237CFC1131.0 C2Cl3F3; CFC-113, Freon 1130.0
238CFC121.0 CCl2F2; CFC-12, R-12, Freon 120.0
239CFC111.0 CCl3F ; CFC-11, R-11, Freon 110.0
240CCl41.0 CCl4; Carbon tetrachloride0.0
241C4HVP21.0 C4 hydroxy-vinyl-peroxy radicals from HPALDs0.0
242C4HVP11.0 C4 hydroxy-vinyl-peroxy radicals from HPALDs0.0
243C3H81.0 C3H8; Propane0.0
244C2H61.0 C2H6; Ethane0.0
245C2H41.0 Ethylene0.0
246C2H21.0 C2H2; Ethyne0.0
247BZPAN1.0 peroxybenzoyl nitrate0.0
248BZCO3H1.0 perbenzoic acid0.0
249BZCO31.0 benzoylperoxy radical0.0
250BRO21.0 C6H5O2 ; Peroxy radical from BENZ oxidation0.0
251BrO1.0 BrO; Bromine monoxide0.0
252BrNO31.0 BrNO3; Bromine nitrate0.0
253BrNO21.0 BrNO2; Nitryl bromide0.0
254BrCl1.0 BrCl; Bromine chloride0.0
255Br21.0 Br2; Molecular bromine0.0
256Br1.0 Br; Atomic bromine0.0
257BENZP1.0 hydroperoxide from BENZO20.0
258BENZO21.0 C6H5O2 radical0.0
259BENZO1.0 C6H5O radical0.0
260BENZ1.0 C6H6; Benzene0.0
261BALD1.0 benzaldehyde and tolualdehyde0.0
262B3O21.0 CH3CH(OO)CH3; Secondary RO2 from C3H80.0
263ATOOH1.0 CH3C(O)CH2OOH; ATO2 peroxide0.0
264ATO21.0 CH3C(O)CH2O2; RO2 from acetone0.0
265AROMP51.0 Generic C5 product from aromatic oxidation0.0
266AROMP41.0 Generic C4 product from aromatic oxidation0.0
267AROMRO21.0 generic peroxy radical from aromatic oxidation0.0
268ALK41.0 >= C4 alkanes0.0
269ALD21.0 CH3CHO; Acetaldehyde0.0
270ACTA1.0 CH3C(O)OH; Acetic acid0.0
271ACET1.0 CH3C(O)CH3; Acetone0.0
272A3O21.0 CH3CH2CH2OO; Primary RO2 from C3H80.0