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