Chemical Species

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

using GasChem, DataFrames, EarthSciMLBase, ModelingToolkit, DynamicQuantities
using ModelingToolkit: t
gc = structural_simplify(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])
275×4 DataFrame
RowNameUnitsDescriptionDefault
StringQuantity…StringFloat64
1A3O21.0 CH3CH2CH2OO; Primary RO2 from C3H859.469
2ACET1.0 CH3C(O)CH3; Acetone87.473
3ACTA1.0 CH3C(O)OH; Acetic acid70.187
4ALD21.0 CH3CHO; Acetaldehyde9.4976
5ALK41.0 >= C4 alkanes8.4827
6AROMP41.0 Generic C4 product from aromatic oxidation52.322
7AROMP51.0 Generic C5 product from aromatic oxidation4.8975
8AROMRO21.0 generic peroxy radical from aromatic oxidation77.132
9ATO21.0 CH3C(O)CH2O2; RO2 from acetone88.056
10ATOOH1.0 CH3C(O)CH2OOH; ATO2 peroxide95.672
11B3O21.0 CH3CH(OO)CH3; Secondary RO2 from C3H844.692
12BALD1.0 benzaldehyde and tolualdehyde35.859
13BENZ1.0 C6H6; Benzene18.166
14BENZO1.0 C6H5O radical92.094
15BENZO21.0 C6H5O2 radical45.77
16BENZP1.0 hydroperoxide from BENZO245.646
17BRO21.0 C6H5O2 ; Peroxy radical from BENZ oxidation90.134
18BZCO31.0 benzoylperoxy radical34.301
19BZCO3H1.0 perbenzoic acid18.28
20BZPAN1.0 peroxybenzoyl nitrate25.224
21Br1.0 Br; Atomic bromine56.283
22Br21.0 Br2; Molecular bromine98.265
23BrCl1.0 BrCl; Bromine chloride70.858
24BrNO21.0 BrNO2; Nitryl bromide15.765
25BrNO31.0 BrNO3; Bromine nitrate8.8808
26BrO1.0 BrO; Bromine monoxide90.871
27C2H21.0 C2H2; Ethyne64.023
28C2H41.0 Ethylene48.832
29C2H61.0 C2H6; Ethane95.5
30C3H81.0 C3H8; Propane93.457
31C4HVP11.0 C4 hydroxy-vinyl-peroxy radicals from HPALDs90.362
32C4HVP21.0 C4 hydroxy-vinyl-peroxy radicals from HPALDs60.972
33CCl41.0 CCl4; Carbon tetrachloride38.249
34CFC111.0 CCl3F ; CFC-11, R-11, Freon 1116.012
35CFC1131.0 C2Cl3F3; CFC-113, Freon 11399.375
36CFC1141.0 C2Cl2F4; CFC-114, Freon 11482.883
37CFC1151.0 C2ClF5; CFC-115, Freon 11563.617
38CFC121.0 CCl2F2; CFC-12, R-12, Freon 1260.683
39CH2Br21.0 CH3Br2; Dibromomethane53.658
40CH2Cl21.0 CH2Cl2; Dichloromethane6.5485
41CH2I21.0 CH2I2; Diiodomethane62.463
42CH2IBr1.0 CH2IBr; Bromoiodomethane98.965
43CH2ICl1.0 CH2ICl; Chloroiodomethane33.656
44CH2O1.0 CH2O; Formaldehyde34.136
45CH2OO1.0 CH2OO; Criegee intermediate72.666
46CH3Br1.0 CH3Br; Methyl bromide76.768
47CH3CCl31.0 CH3CCl3; Methyl chloroform99.842
48CH3CHOO1.0 CH3CHOO; Criegee intermediate27.83
49CH3Cl1.0 CH3Cl; Chloromethane14.055
50CH3I1.0 CH3I; Methyl iodide19.671
51CH41.0 CH4; Methane6.933
52CHBr31.0 CHBr3; Tribromethane84.204
53CHCl31.0 CHCl3; Chloroform79.435
54CO1.0 CO; Carbon monoxide32.978
55CO21.0 CO2; Carbon dioxide55.611
56CSL1.0 cresols and xylols23.332
57Cl1.0 Cl; Atomic chlorine47.484
58Cl21.0 Cl2; Molecular chlorine71.292
59Cl2O21.0 Cl2O2; Dichlorine dioxide96.248
60ClNO21.0 ClNO2; Nitryl chloride36.482
61ClNO31.0 ClONO2; Chlorine nitrate55.02
62ClO1.0 ClO; Chlorine monoxide0.9863
63ClOO1.0 ClOO; Chlorine dioxide53.802
64DMS1.0 (CH3)2S; Dimethylsulfide5.8615
65EOH1.0 C2H5OH; Ethanol18.988
66ETHLN1.0 CHOCH2ONO2; Ethanal nitrate69.851
67ETHN1.0 stable hydroxy-nitrooxy-ethane24.767
68ETHP1.0 stable hydroxy-hydroperoxy-ethane59.843
69ETNO31.0 C2H5ONO2; Ethyl nitrate11.558
70ETO1.0 hydroxy-alkoxy-ethane radical85.116
71ETO21.0 CH3CH2OO; Ethylperoxy radical29.3
72ETOO1.0 hydroxy-peroxy-ethane radical, formed from ethene + OH24.842
73ETP1.0 CH3CH2OOH; Ethylhydroperoxide81.95
74GLYC1.0 HOCH2CHO; Glycoaldehyde20.407
75GLYX1.0 CHOCHO; Glyoxal81.571
76H1.0 H; Atomic hydrogen7.641
77H12111.0 CBrClF2; H-121146.027
78H13011.0 CBrF3; H-130136.584
79H21.0 H2; Molecular hydrogen97.924
80H24021.0 C2Br2F4; H-240252.639
81H2O1.0 H2O; Water vapor56.623
82H2O21.0 H2O2; Hydrogen peroxide44.325
83HAC1.0 HOCH2C(O)CH3; Hydroxyacetone88.335
84HBr1.0 HBr; Hypobromic acid15.715
85HC5A1.0 C5H8O2; Isoprene-4,1-hydroxyaldehyde44.638
86HCFC1231.0 C2HCl2F3; HCFC-123, R-123, Freon 12322.296
87HCFC141b1.0 C(CH3)Cl2F; HCFC-141b, R-141b, Freon 141b93.091
88HCFC142b1.0 C(CH3)ClF2; HCFC-142b, R-142b, Freon 142b81.415
89HCFC221.0 CHClF2 ; HCFC-22, R-22, Freon 2216.333
90HCOOH1.0 HCOOH; Formic acid99.489
91HCl1.0 HCl; Hydrochloric acid87.644
92HI1.0 HI; Hydrogen iodide68.377
93HMHP1.0 HOCH2OOH; Hydroxymethyl hydroperoxide16.437
94HMML1.0 C4H6O3; Hydroxymethyl-methyl-a-lactone33.654
95HMS1.0 HOCH2SO3-; hydroxymethanesulfonate54.099
96HNO21.0 HONO; Nitrous acid18.174
97HNO31.0 HNO3; Nitric acid62.17
98HNO41.0 HNO4; Pernitric acid39.302
99HO21.0 HO2; Hydroperoxyl radical58.306
100HOBr1.0 HOBr; Hypobromous acid59.529
101HOCl1.0 HOCl; Hypochlorous acid90.397
102HOI1.0 HOI; Hypoiodous acid35.827
103HONIT1.0 2nd gen monoterpene organic nitrate58.76
104HPALD11.0 O=CHC(CH3)=CHCH2OOH; d-4,1-C5-hydroperoxyaldehyde73.164
105HPALD1OO1.0 peroxy radicals from HPALD134.759
106HPALD21.0 HOOCH2C(CH3)=CHCH=O; d-1,4-C5-hydroperoxyaldehyde1.0291
107HPALD2OO1.0 peroxy radicals from HPALD228.332
108HPALD31.0 O=CHC(CH3)OOHCH=CH2; b-2,1-C5-hydroperoxyaldehyde91.404
109HPALD41.0 CH2=C(CH3)CHOOHCH=O; b-3,4-C5-hydroperoxyaldehyde14.949
110HPETHNL1.0 CHOCH2OOH; hydroperoxyethanal90.33
111I1.0 I; Atmoic iodine85.092
112I21.0 I2; Molecular iodine49.639
113I2O21.0 I2O2; Diiodine dioxide70.687
114I2O31.0 I2O3; Diiodine trioxide85.95
115I2O41.0 I2O4; Diiodine tetraoxide36.304
116IBr1.0 IBr; Iodine monobromide46.529
117ICHE1.0 C5H8O3; Isoprene hydroxy-carbonyl-epoxides17.739
118ICHOO1.0 peroxy radical from IEPOXD75.448
119ICN1.0 C5H7NO4; Lumped isoprene carbonyl nitrates22.128
120ICNOO1.0 peroxy radicals from ICN12.649
121ICPDH1.0 C5H10O5; Isoprene dihydroxy hydroperoxycarbonyl71.736
122ICl1.0 ICl; Iodine monochloride32.124
123IDC1.0 C5H6O2; Lumped isoprene dicarbonyls28.84
124IDCHP1.0 C5H8O5; Isoprene dicarbonyl hydroxy dihydroperoxide2.3035
125IDHDP1.0 C5H12O6; Isoprene dihydroxy dihydroperoxide21.649
126IDHNBOO1.0 peroxy radicals from INPB25.086
127IDHNDOO11.0 peroxy radicals from INPD15.276
128IDHNDOO21.0 peroxy radicals from INPD61.961
129IDHPE1.0 C5H10O5; Isoprene dihydroxy hydroperoxy epoxide94.216
130IDN1.0 C5H8N2O6; Lumped isoprene dinitrates13.328
131IDNOO1.0 peroxy radicals from IDN44.188
132IEPOXA1.0 C5H10O3; trans-Beta isoprene epoxydiol60.554
133IEPOXAOO1.0 peroxy radical from trans-Beta isoprene epoxydiol27.948
134IEPOXB1.0 C5H10O3; cis-Beta isoprene epoxydiol38.609
135IEPOXBOO1.0 peroxy radical from cis-Beta isoprene epoxydiol87.094
136IEPOXD1.0 C5H10O3; Delta isoprene epoxydiol8.0346
137IHN11.0 C5H9NO4; Isoprene-d-4-hydroxy-1-nitrate11.028
138IHN21.0 C5H9NO4; Isoprene-b-1-hydroxy-2-nitrate71.286
139IHN31.0 C5H9NO4; Isoprene-b-4-hydroxy-3-nitrate82.443
140IHN41.0 C5H9NO4; Isoprene-d-1-hydroxy-4-nitrate91.975
141IHOO11.0 peroxy radical from OH addition to isoprene at C127.517
142IHOO41.0 peroxy radical from OH addition to isoprene at C451.624
143IHPNBOO1.0 peroxy radicals from INPB66.363
144IHPNDOO1.0 peroxy radicals from INPD63.447
145IHPOO11.0 peroxy radical from ISOPOOH79.476
146IHPOO21.0 peroxy radical from ISOPOOH58.328
147IHPOO31.0 peroxy radical from ISOPOOH5.9515
148INA1.0 alkoxy radical from INO2D26.49
149INDIOL1.0 Generic aerosol phase organonitrate hydrolysis product52.424
150INO1.0 INO; Nitrosyl iodide73.106
151INO2B1.0 beta-peroxy radicals from isoprene + NO325.723
152INO2D1.0 delta-peroxy radicals from isoprene + NO330.524
153INPB1.0 C5H9NO5; Lumped isoprene beta-hydroperoxy nitrates96.224
154INPD1.0 C5H9NO5; Lumped isoprene delta-hydroperoxy nitrates80.193
155IO1.0 IO; Iodine monoxide26.615
156IONITA1.0 Aerosol-phase organic nitrate from isoprene precursors25.539
157IONO1.0 IONO; Nitryl iodide56.756
158IONO21.0 IONO2; Iodine nitrate53.992
159IPRNO31.0 C3H8ONO2; Isopropyl nitrate22.638
160ISOP1.0 CH2=C(CH3)CH=CH2; Isoprene83.24
161ISOPNOO11.0 peroxy radicals from IHN260.043
162ISOPNOO21.0 peroxy radicals from IHN371.16
163ITCN1.0 C5H9NO7; Lumped tetrafunctional isoprene carbonyl-nitrates26.206
164ITHN1.0 C5H11NO7; Lumped tetrafunctional isoprene hydroxynitrates11.572
165KO21.0 RO2 from >3 ketones84.868
166LBRO2H1.0 Dummy spc to track oxidation of BRO2 by HO261.633
167LBRO2N1.0 Dummy spc to track oxidation of BRO2 by NO11.255
168LIMO1.0 C10H16; Limonene53.446
169LIMO21.0 RO2 from LIMO92.794
170LISOPNO31.0 Dummy spc to track oxidation of ISOP by NO329.918
171LISOPOH1.0 Dummy spc to track oxidation of ISOP by OH92.199
172LNRO2H1.0 Dummy spc to track oxidation of NRO2 by HO229.939
173LNRO2N1.0 Dummy spc to track oxidation of NRO2 by NO57.661
174LTRO2H1.0 Dummy spc to track oxidation of TRO2 by HO246.441
175LTRO2N1.0 Dummy spc to track oxidation of TRO2 by NO28.826
176LVOC1.0 C5H14O5; Gas-phase low-volatility non-IEPOX product of ISOPOOH (RIP) oxidation47.079
177LXRO2H1.0 Dummy spc to track oxidation of XRO2 by HO262.462
178LXRO2N1.0 Dummy spc to track oxidation of XRO2 by NO39.337
179MACR1.0 CH2=C(CH3)CHO; Methacrolein17.935
180MACR1OO1.0 peroxyacyl radical from MACR + OH91.114
181MACR1OOH1.0 CH2=C(CH3)C(O)OOH; Peracid from MACR61.547
182MACRNO21.0 Product of MCRHN + OH97.585
183MAP1.0 CH3C(O)OOH; Peroxyacetic acid61.421
184MCO31.0 CH3C(O)OO; Peroxyacetyl radical0.622
185MCRDH1.0 C4H8O3; Dihydroxy-MACR23.756
186MCRENOL1.0 C4H6O2; Lumped enols from MVK/MACR43.151
187MCRHN1.0 HOCH2C(ONO2)(CH3)CHO; Hydroxynitrate from MACR5.5067
188MCRHNB1.0 O2NOCH2C(OH)(CH3)CHO; Hydroxynitrate from MACR2.8277
189MCRHP1.0 HOCH2C(OOH)(CH3)CHO; Hydroxy-hydroperoxy-MACR0.2048
190MCROHOO1.0 peroxy radical from MACR + OH49.422
191MCT1.0 methylcatechols77.753
192MEK1.0 RC(O)R; Methyl ethyl ketone61.732
193MENO31.0 CH3ONO2; methyl nitrate89.773
194MGLY1.0 CH3COCHO; Methylglyoxal93.209
195MO21.0 CH3O2; Methylperoxy radical73.881
196MOH1.0 CH3OH; Methanol55.585
197MONITA1.0 Aerosol-phase organic nitrate from monoterpene precursors61.052
198MONITS1.0 Saturated 1st gen monoterpene organic nitrate71.179
199MONITU1.0 Unsaturated 1st gen monoterpene organic nitrate23.294
200MP1.0 CH3OOH; Methylhydroperoxide25.386
201MPAN1.0 CH2=C(CH3)C(O)OONO2; Peroxymethacroyl nitrate (PMN)89.575
202MPN1.0 CH3O2NO2; Methyl peroxy nitrate59.399
203MSA1.0 CH4SO3; Methanesulfonic acid82.711
204MTPA1.0 Lumped monoterpenes: a-pinene, b-pinene, sabinene, carene25.413
205MTPO1.0 Other monoterpenes: Terpinene, terpinolene, myrcene, ocimene, other monoterpenes8.9141
206MVK1.0 CH2=CHC(=O)CH3; Methyl vinyl ketone62.109
207MVKDH1.0 HOCH2CH2OHC(O)CH3; Dihydroxy-MVK97.635
208MVKHC1.0 C4H6O3; MVK hydroxy-carbonyl98.159
209MVKHCB1.0 C4H6O3; MVK hydroxy-carbonyl50.621
210MVKHP1.0 C4H8O4; MVK hydroxy-hydroperoxide35.334
211MVKN1.0 HOCH2CH(ONO2)C(=O)CH3; Hydroxynitrate from MVK48.57
212MVKOHOO1.0 peroxy radical from MVK + OH41.49
213MVKPC1.0 OCHCH(OOH)C(O)CH3; MVK hydroperoxy-carbonyl8.259
214N1.0 N; Atomic nitrogen56.891
215N21.0 N2; Molecular nitrogen36.998
216N2O1.0 N2O; Nitrous oxide50.751
217N2O51.0 N2O5; Dinitrogen pentoxide19.118
218NAP1.0 C10H8; Naphthalene; IVOC surrogate33.27
219NIT1.0 NIT; Fine mode inorganic nitrate77.088
220NITs1.0 NITs; Coarse mode inorganic nitrate56.341
221NO1.0 NO; Nitric oxide54.454
222NO21.0 NO2; Nitrogen dioxide5.5605
223NO31.0 NO3; Nitrate radical31.739
224NPHEN1.0 nitrophenols87.002
225NPRNO31.0 C3H8ONO2; n-propyl nitrate58.488
226NRO21.0 Peroxy radical from NAP oxidation83.618
227O1.0 O(3P); Ground state atomic oxygen14.164
228O1D1.0 O(1D); Excited atomic oxygen17.648
229O21.0 O2; Molecular oxygen51.201
230O31.0 O3; Ozone2.1326
231OCS1.0 COS; Carbonyl sulfide20.867
232OClO1.0 OClO; Chlorine dioxide60.037
233OH1.0 OH; Hydroxyl radical19.293
234OIO1.0 OIO; Iodine dioxide51.406
235OLND1.0 Monoterpene-derived NO3-alkene adduct63.247
236OLNN1.0 Monoterpene-derived NO3 adduct95.667
237OTHRO21.0 Other C2 RO2 not from C2H6 oxidation74.722
238PAN1.0 CH3C(O)OONO2; Peroxyacetylnitrate59.945
239PHEN1.0 phenol59.463
240PIO21.0 RO2 from MTPA94.953
241PIP1.0 Peroxides from MTPA96.809
242PO21.0 HOCH2CH(OO)CH3; RO2 from propene25.827
243PP1.0 HOCH2CH(OOH)CH3; Peroxide from PO261.804
244PPN1.0 CH3CH2C(O)OONO2; Peroxypropionylnitrate94.436
245PRN11.0 O2NOCH2CH(OO)CH3; RO2 from propene + NO387.618
246PROPNN1.0 CH3C(=O)CH2ONO2; Propanone nitrate33.842
247PRPE1.0 C3H6; >= C3 alkenes63.131
248PRPN1.0 O2NOCH2CH(OOH)CH3; Peroxide from PRN143.083
249PYAC1.0 CH3COCOOH; Pyruvic acid79.104
250R4N11.0 RO2 from R4N237.438
251R4N21.0 RO2NO; >= C4 alkylnitrates46.153
252R4O21.0 RO2 from ALK436.162
253R4P1.0 CH3CH2CH2CH2OOH; Peroxide from R4O240.804
254RA3P1.0 CH3CH2CH2OOH; Peroxide from A3O257.025
255RB3P1.0 CH3CH(OOH)CH3; Peroxide from B3O272.421
256RCHO1.0 CH3CH2CHO; >= C3 aldehydes37.68
257RCO31.0 CH3CH2C(O)OO; Peroxypropionyl radical63.108
258RCOOH1.0 C2H5C(O)OH; > C2 organic acids 12.892
259RIPA1.0 HOCH2C(OOH)(CH3)CH=CH2; 1,2-ISOPOOH42.881
260RIPB1.0 HOCH2C(OOH)(CH3)CH=CH2; 4,3-ISOPOOH24.737
261RIPC1.0 C5H10O3; d(1,4)-ISOPOOH57.374
262RIPD1.0 C5H10O3; d(4,1)-ISOPOOH5.9941
263ROH1.0 C3H7OH; > C2 alcohols67.75
264RP1.0 CH3CH2C(O)OOH; Peroxide from RCO338.598
265SALAAL1.0 Accumulation mode seasalt aerosol alkalinity37.928
266SALACL1.0 Cl; Fine chloride41.613
267SALCAL1.0 Coarse mode seasalt aerosol alkalinity13.651
268SALCCL1.0 Cl; Coarse chloride41.813
269SO21.0 SO2; Sulfur dioxide6.218
270SO41.0 SO4; Sulfate97.494
271SO4s1.0 SO4 on sea-salt; Sulfate74.244
272TOLU1.0 C7H8; Toluene58.265
273TRO21.0 Peroxy radical from TOLU oxidation10.659
274XRO21.0 Peroxy radical from XYLE oxidation25.058
275XYLE1.0 C8H10; Xylene24.563