Fullchem simulation
Overview
The GEOS-Chem fullchem (aka “full-chemistry”) simulation uses a detailed NOx-Ox-hydrocarbons-aerosols-halogens mechanism.
You may choose one of several fullchem simulation options at run directory creation time.
Option |
Description |
---|---|
The default full chemistry simulation. Uses a simple SOA species and precursor. |
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The configuration used for performing GEOS-Chem benchmark simulations. Uses all of the species in the standard simulation, but also carries complex SOA species for diagnostic purposes. |
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Replaces the simple SOA species and precursor with the Pye et al. [2010] complex SOA scheme. |
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Replaces the simple SOA species and precursor with the Pye et al. 2010 complex SOA scheme, plus semi-volatile POA species. |
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Adds species MOPI (hydrophilic marine POA) and MOPO (hydrophobic marine POA). |
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Adds several species to track how acids are taken up by dust and other aerosols. |
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Replaces the default bulk aerosol scheme with TOMAS Aerosol Microphysics. |
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Replaces the default bulk aerosol scheme with the APM Aerosol Microphysics. |
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Enables the RRTMG radiative transfer model, which can be used to compute radiative forcings for certain species. |
Most GEOS-Chem users typically run the Standard simulation.
List of species, by option
Standard
The Standard fullchem option uses the following species:
Species |
Description |
Formula |
MW (g) |
---|---|---|---|
ACET |
Acetone |
CH3C(O)CH3 |
58.09 |
ACTA |
Acetic acid |
CH3C(O)OH |
60.06 |
ACR |
Acrolein |
C3H4O |
56.06 |
AERI |
Iodine on aerosol |
I |
126.9 |
ALD2 |
Acetaldehyde |
CH3CHO |
44.06 |
ALK4 |
Lumped C4+C5 Alkanes |
not listed |
58.12 |
ALK4N2 |
Lumped alkyl nitrate from ALK4 |
RO2NO |
119.1 |
ALK4P |
Peroxide from ALK4O2 |
CH3CH2CH2CH2OOH |
90.14 |
ALK6 |
Lumped >= C6 Alkanes |
C7H16 |
100.2 |
AONITA |
Aerosol-phase organonitrates from aromatics |
C6H6O6N |
189.12 |
APAN |
Peroxyacryloyl nitrate |
C3H3NO5 |
133.06 |
APINP |
Hydroperoxide from APIN |
C10H18O3 |
186.28 |
APINN |
1st gen organic nitrate from APIN |
C10H17NO4 |
215.28 |
AROMCHO |
ACCOMECHO from MCM |
C5H6O4 |
130.1 |
AROMP4 |
Generic C4 product of aromatics |
C4H4O2 |
68.08 |
AROMP5 |
C5 unsaturated dicarbonyl |
C5H6O2 |
98.1 |
AROMPN |
Lumped PN from aromatics |
C5H5NO8 |
207.1 |
ATOOH |
ATO2 peroxide |
CH3C(O)CH2OOH |
90.09 |
BALD |
Benzaldehyde |
C7H6O |
106.12 |
BCPI |
Hydrophilic black carbon aerosol |
C |
12.01 |
BCPO |
Hydrophobic black carbon aerosol |
C |
12.01 |
BENZ |
Benzene |
C6H6 |
78.12 |
BENZP |
Phenyl hydroperoxide |
C6H6O2 |
110.11 |
BPINO |
Ketone from BPIN |
C9H14O |
186.28 |
BPINN |
Saturated 1st gen BPIN organic nitrate |
C10H17NO4 |
215.28 |
BPINP |
Peroxide from BPIN |
C10H18O3 |
186.28 |
BPINOOH |
2nd-gen peroxide from BPIN |
C9H14O3 |
186.28 |
BPINON |
Saturated 2nd gen BPIN organic nitrate |
C9H13NO4 |
215.28 |
Br |
Atomic bromine |
Br |
79.9 |
Br2 |
Molecular Bromine |
Br2 |
159.8 |
BrCl |
Bromine chloride |
BrCl |
115.45 |
BrNO2 |
Nitryl bromide |
BrNO2 |
125.91 |
BrNO3 |
Bromine nitrate |
BrNO3 |
141.91 |
BrO |
Bromine monoxide |
BrO |
95.9 |
BrSALA |
Fine sea salt bromine |
Br |
79.9 |
BrSALC |
Coarse sea salt bromine |
Br |
79.9 |
BUTDI |
Butenedial |
C4H4O2 |
84.07 |
BUTN |
C4H6 alkyl nitrate |
C4H7NO4 |
133.1 |
BZCO3H |
Perbenzoic acid |
C6H5CO3H |
138.12 |
BZPAN |
Peroxybenzoylnitrate |
C7H5O5N |
183.12 |
C96O2H |
Peroxide from APIN 2nd gen |
C9H16O3 |
186.28 |
C96N |
Saturated 2nd gen monoterpene organic nitrate |
C9H15NO4 |
215.28 |
C2H2 |
Acetylene (aka Ethyne) |
C2H2 |
26.05 |
C2H4 |
Ethylene |
C2H4 |
28.05 |
C2H6 |
Ethane |
C2H6 |
30.08 |
C3H8 |
Propane |
C3H8 |
44.11 |
C4H6 |
1,3-butadiene |
C4H6 |
54.09 |
CCl4 |
Carbon tetrachloride |
CCl4 |
153.82 |
CFC11 |
CFC-11 |
CCl3F |
137.37 |
CFC113 |
CFC-113 |
C2Cl3F3 |
187.38 |
CFC114 |
CFC-114 |
C2Cl2F4 |
170.92 |
CFC115 |
CFC-115 |
C2ClF5 |
154.47 |
CFC12 |
CFC-12 |
CCl2F2 |
120.91 |
CH2Br2 |
Dibromomethane |
CH2Br2 |
173.83 |
CH2Cl2 |
Dichloromethane |
CH2Cl2 |
84.93 |
CH2I2 |
Diiodomethane |
CH2I2 |
267.84 |
CH2IBr |
Bromoiodomethane |
CH2IBr |
220.84 |
CH2ICl |
Chloroiodomethane |
CH2ICl |
176.38 |
CH2O |
Formaldehyde |
CH2O |
30.03 |
CH3Br |
Methyl bromide |
CH3Br |
94.94 |
CH3CCl3 |
Methyl chloroform |
CH3CCl3 |
133.35 |
CH3Cl |
Chloromethane |
CH3Cl |
50.45 |
CH3I |
Methyl iodide |
CH3I |
141.94 |
CH4 |
not listed |
CH4 |
16.04 |
CHBr3 |
Bromoform |
CHBr3 |
252.73 |
CHCl3 |
Chloroform |
CHCl3 |
119.35 |
Cl |
Atomic chlorine |
Cl |
35.45 |
Cl2 |
Molecular chlorine |
Cl2 |
70.9 |
Cl2O2 |
Dichlorine dioxide |
Cl2O2 |
102.91 |
ClNO2 |
Nitryl chloride |
ClNO2 |
81.45 |
ClNO3 |
Chlorine nitrate |
ClNO3 |
97.45 |
ClO |
Chlorine monoxide |
ClO |
51.45 |
ClOO |
Chlorine dioxide |
ClOO |
67.45 |
CLOCK |
Clock tracer for diagnosing age of air |
not listed |
1.0 |
CO |
not listed |
CO |
28.01 |
CSL |
Cresols |
C7H8O |
108.14 |
DMS |
Dimethyl sulfide |
(CH3)2S |
62.13 |
DST1 |
Dust aerosol, Reff = 0.7 microns |
not listed |
29.0 |
DST2 |
Dust aerosol, Reff = 1.4 microns |
not listed |
29.0 |
DST3 |
Dust aerosol, Reff = 2.4 microns |
not listed |
29.0 |
DST4 |
Dust aerosol, Reff = 4.5 microns |
not listed |
29.0 |
EBZ |
Ethylbenzene |
C8H10 |
106.167 |
EOH |
Ethanol |
C2H5OH |
46.07 |
ETHLN |
Ethanol nitrate |
CHOCH2ONO2 |
105.06 |
ETHN |
hydroxy-nitrooxy-ethane |
HOCH2CH2ONO2 |
107.07 |
ETHP |
hydroxy-hydroperoxy-ethane |
HOCH2CH2OOH |
78.07 |
ETNO3 |
Ethyl nitrate |
C2H5ONO2 |
91.08 |
ETP |
Ethylhydroperoxide |
CH3CH2OOH |
62.08 |
FURA |
Furan |
C4H4O |
68.07 |
GLYC |
Glycoaldehyde |
HOCH2CHO |
60.06 |
GLYX |
Glyoxal |
CHOCHO |
58.04 |
HACTA |
Hydroxyacetic/glycolic acid |
HOCH2CO2H |
76.0514 |
H1211 |
Halon 1211, Freon 12B1 |
CBrClF2 |
165.36 |
H1301 |
Halon 1301, Freon 13B1 |
CBrF3 |
148.91 |
H2402 |
Halon 2402 |
C2Br2F4 |
259.82 |
H2O |
Water vapor |
H2O |
18.02 |
H2O2 |
Hydrogen peroxide |
H2O2 |
34.02 |
HAC |
Hydroxyacetone |
HOCH2C(O)CH3 |
74.08 |
HBr |
Hypobromic acid |
HBr |
80.91 |
HC5A |
isoprene-4,1-hydroxyaldehyde |
C5H8O2 |
100.13 |
HCFC123 |
HCFC-123, Freon 123 |
C2HCl2F3 |
152.93 |
HCFC141b |
HCFC-141b, Freon 141b |
C(CH3)Cl2F |
116.94 |
HCFC142b |
HCFC-142b, Freon 142b |
C(CH3)ClF2 |
100.5 |
HCFC22 |
HCFC-22, Freon 22 |
CHClF2 |
86.47 |
HCl |
Hydrochloric acid |
HCl |
36.45 |
HCOOH |
Formic acid |
HCOOH |
46.03 |
HI |
Hydrogen iodide |
HI |
127.91 |
HMHP |
Hydroxymethyl hydroperoxide |
HOCH2OOH |
64.05 |
HMML |
hydroxymethyl-methyl-a-lactone |
C4H6O3 |
102.1 |
HMS |
Hydroxymethanesulfonate |
HOCH2SO3− |
111.1 |
HNO2 |
Nitrous acid |
HNO2 |
47.01 |
HNO3 |
Nitric acid |
HNO3 |
63.01 |
HNO4 |
Peroxynitric acid |
HNO4 |
79.01 |
HOBr |
Hypobromous acid |
HOBr |
96.91 |
HOCl |
Hypochlorous acid |
HOCl |
52.45 |
HOI |
Hypoiodous acid |
HOI |
143.89 |
HONIT |
2nd gen monoterpene organic nitrate |
not listed |
215.0 |
HPALD1 |
d-4,1-C5-hydroperoxyaldehyde |
C5H8O3 |
116.13 |
HPALD2 |
d-1,4-C5-hydroperoxyaldehyde |
C5H8O3 |
116.13 |
HPALD3 |
b-2,1-C5-hydroperoxyaldehyde |
C5H8O3 |
116.13 |
HPALD4 |
b-3,4-C5-hydroperoxyaldehyde |
C5H8O3 |
116.13 |
HPETHNL |
Hydroperoxy ethanal |
HOOCH2CHO |
76.06 |
I |
Atomic iodine |
I |
126.9 |
I2 |
Molecular iodine |
I2 |
253.8 |
I2O2 |
Diiodine dioxide |
I2O2 |
285.8 |
I2O3 |
Diiodine trioxide |
I2O3 |
301.8 |
I2O4 |
Diiodine tetraoxide |
I2O4 |
317.8 |
IBr |
Iodine monobromide |
IBr |
206.9 |
ICHE |
Isoprene hydroxy-carbonyl-epoxides |
C5H8O3 |
116.13 |
ICl |
Iodine monochloride |
ICl |
162.45 |
ICN |
Lumped isoprene carbonyl-nitrates |
C5H7NO4 |
145.13 |
ICPDH |
Isoprene dihydroxy hydroperoxycarbonyl |
C5H10O5 |
150.15 |
IDC |
Lumped isoprene dicarbonyls |
C5H6O2 |
98.11 |
IDCHP |
Isoprene dicarbonyl hydroxy dihydroperoxide |
C5H8O5 |
148.13 |
IDHDP |
Isoprene dihydroxy dihydroperoxide |
C5H12O6 |
168.17 |
IDHPE |
Isoprene dihydroxy hydroperoxy epoxide |
C5H10O5 |
150.15 |
IDN |
Lumped isoprene dinitrates |
C5H8N2O6 |
192.15 |
IEPOXA |
trans-Beta isoprene epoxydiol |
C4H10O3 |
106.14 |
IEPOXB |
cis-Beta isoprene epoxydiol |
C4H10O3 |
106.14 |
IEPOXD |
Delta isoprene epoxydiol |
C4H10O3 |
106.14 |
IHN1 |
Isoprene-d-4,1-hydroxynitrate |
C5H9NO4 |
147.15 |
IHN2 |
Isoprene-b-1,2-hydroxynitrate |
C5H9NO4 |
147.15 |
IHN3 |
Isoprene-b-4,3-hydroxynitrate |
C5H9NO4 |
147.15 |
IHN4 |
Isoprene-d-4,1-hydroxynitrate |
C5H9NO4 |
147.15 |
INDIOL |
Generic aerosol-phase organonitrate hydrolysis product |
not listed |
102.0 |
INO |
Nitrosyl iodide |
INO |
156.91 |
INPB |
Lumped b-hydroperoxy isoprene nitrates |
C5H9NO5 |
163.15 |
INPD |
Lumped d-hydroperoxy isoprene nitrates |
C5H9NO5 |
163.15 |
IO |
Iodine monoxide |
IO |
142.9 |
IONITA |
Aer-phase organic nitrate from isoprene precursors |
not listed |
14.01 |
IONO |
Nitryl iodide |
IONO |
172.91 |
IONO2 |
Iodine nitrate |
IONO2 |
188.91 |
IPRNO3 |
Isopropyl nitrate |
C3H7ONO2 |
105.11 |
ISALA |
Fine sea salt iodine |
I |
126.9 |
ISALC |
Coarse sea salt iodine |
I |
126.9 |
ISOP |
Isoprene |
CH2=C(CH3)CH=CH2 |
68.13 |
ITCN |
lumped isoprene tetrafunctional carbonylnitrates |
C5H9NO7 |
195.15 |
ITHN |
Lumped isoprene tetrafunctional hydroxynitrates |
C5H11NO7 |
197.17 |
LIMAL |
Aldehyde from limonene |
C10H16O2 |
186.28 |
LIMKB |
2nd gen ketone from limonene |
C10H16O3 |
186.28 |
LIMKET |
Ketone from limonene |
C10H16O2 |
186.28 |
LIMN |
Saturated 1st gen limonene organic nitrate |
C10H17NO4 |
215.28 |
LIMNB |
Saturated 1st gen LIMO organic nitrate |
C10H15NO4 |
215.28 |
LIMO |
Limonene |
C10H16 |
136.26 |
LIMO2H |
Acid from LIMO |
C10H18O3 |
186.28 |
LIMO3H |
Peracid from LIMO |
C10H18O4 |
186.28 |
LIMPAN |
PAN from LIMO |
C10H17NO4 |
215.28 |
LVOC |
Gas-phase low-volatility non-IEPOX product of RIP ox |
C5H14O5 |
154.19 |
LVOCOA |
Aer-phase low-volatility non-IEPOX product of RIP ox |
C5H14O5 |
154.19 |
MACR |
Methacrolein |
CH2=C(CH3)CHO |
70.1 |
MACR1OOH |
Peracid from MACR |
CH2=C(CH3)C(O)OOH |
102.1 |
MAP |
Peroxyacetic acid |
CH3C(O)OOH |
76.06 |
MCRDH |
Dihydroxy-methacrolein |
C4H8O3 |
104.12 |
MCRENOL |
Lumped enols from MVK/MACR |
C4H6O2 |
86.1 |
MCRHN |
Nitrate from MACR |
HOCH2C(ONO2)(CH3)CHO |
149.11 |
MCRHNB |
Nitrate from MACR |
O2NOCH2C(OH)(CH3)CHO |
149.11 |
MCRHP |
Hydroxy-hydroperoxy-methacrolein |
HOCH2C(OOH)(CH3)CHO |
120.12 |
MCT |
Catechols and methyl catechols |
C7H8O2 |
124.0 |
MEK |
Methyl Ethyl Ketone |
RC(O)R |
72.11 |
MEKPN |
MEK peroxyacetyl nitrate |
C3H5NO6 |
151.07 |
MENO3 |
Methyl nitrate |
CH3ONO2 |
77.05 |
MGLY |
Methylglyoxal |
CH3COCHO |
72.07 |
MOH |
Methanol |
CH3OH |
32.05 |
MONITA |
Aer-phase organic nitrate from monoterpene precursors |
not listed |
14.01 |
MONITS |
Saturated 1st gen monoterpene organic nitrate |
C10H17NO4 |
215.28 |
MONITU |
Unsaturated 1st gen monoterpene organic nitrate |
C10H17NO4 |
215.28 |
MP |
Methyl hydro peroxide |
CH3OOH |
48.05 |
MPAN |
Peroxymethacroyl nitrate (PMN) |
CH2=C(CH3)C(O)OONO2 |
147.1 |
MPN |
Methyl peroxy nitrate |
CH3O2NO2 |
93.05 |
MSA |
Methyl sulfonic acid |
CH4SO3 |
96.1 |
MTPA |
a-pinene, b-pinene, sabinene, carene |
not listed |
136.26 |
MTPO |
Terpinene, terpinolene, myrcene, ocimene, other monoterpenes |
not listed |
136.26 |
MVK |
Methyl vinyl ketone |
CH2=CHC(=O)CH3 |
70.09 |
MVKDH |
dihydroxy-MVK |
HOCH2CH2OHC(O)CH3 |
105.13 |
MVKHC |
MVK hydroxy-carbonyl |
C4H6O3 |
102.1 |
MVKHCB |
MVK hydroxy-carbonyl |
C4H6O3 |
102.1 |
MVKHP |
MVK hydroxy-hydroperoxide |
C4H8O4 |
120.12 |
MVKN |
Nitrate from MVK |
HOCH2CH(ONO2)C(=O)CH3 |
149.12 |
MVKPC |
MVK hydroperoxy-carbonyl |
OCHCH(OOH)C(O)CH3 |
118.1 |
MYRCO |
Aldehyde or ketone from myrcene |
C10H18O3 |
186.28 |
N2O |
Nitrous oxide |
N2O |
44.02 |
N2O5 |
Dinitrogen pentoxide |
N2O5 |
108.02 |
NH3 |
Ammonia |
NH3 |
17.04 |
NH4 |
Ammonium |
NH4 |
18.05 |
NIT |
Inorganic nitrates |
not listed |
62.01 |
NITs |
Inorganic nitrates on surface of seasalt aerosol |
not listed |
31.4 |
NO |
Nitrogen oxide |
NO |
30.01 |
NO2 |
Nitrogen dioxide |
NO2 |
46.01 |
NO3 |
Nitrate radical |
NO3 |
62.01 |
NPHEN |
Nitrophenols |
C6H5NO3 |
139.11 |
NPRNO3 |
n-propyl nitrate |
C3H7ONO2 |
105.11 |
O3 |
Ozone |
O3 |
48.0 |
OClO |
Chlorine dioxide |
OClO |
67.45 |
OCPI |
Hydrophilic organic carbon aerosol |
not listed |
12.01 |
OCPO |
Hydrophobic organic carbon aerosol |
not listed |
12.01 |
OCS |
Carbonyl sulfide |
COS |
60.07 |
OIO |
Iodine dioxide |
OIO |
158.9 |
PAN |
Peroxyacetyl nitrate |
CH3C(O)OONO2 |
121.06 |
pFe |
Anthropogenic iron |
Fe |
55.85 |
PHAN |
Peroxyhydroxyacetic nitric anhydride |
C2H3NO6 |
137.0483 |
PHEN |
Phenol |
C6H6O |
94.11 |
PIN |
Saturated 1st gen monoterpene organic nitrate |
C10H17NO4 |
215.28 |
PINAL |
Pinonaldehyde |
C10H16O2 |
186.28 |
PINONIC |
Pinonic acid |
C10H18O3 |
186.28 |
PINO3H |
Pinonic peracid |
C10H18O4 |
186.28 |
PINPAN |
PAN from pinonaldehyde |
C10H17NO4 |
215.28 |
PIP |
Peroxide from MTPA |
C10H18O3 |
186.28 |
PP |
Peroxide from PO2 |
HOCH2CH(OOH)CH3 |
92.11 |
PPN |
Lumped peroxypropionyl nitrate |
CH3CH2C(O)OONO2 |
135.08 |
PROPNN |
Propanone nitrate |
CH3C(=O)CH2ONO2 |
119.08 |
PRPE |
Lumped >= C3 alkenes |
C3H6 |
42.09 |
PRPN |
Peroxide from PRN1 |
O2NOCH2CH(OOH)CH3 |
137.11 |
PYAC |
Pyruvic acid |
C3H4O3 |
88.07 |
R4N2 |
Lumped alkyl nitrate |
RO2NO |
119.1 |
R4P |
Peroxide from R4O2 |
CH3CH2CH2CH2OOH |
90.14 |
R7N2 |
C7 Lumped alkyl nitrate |
RO2NO |
161.2 |
R7P |
Peroxide from R7O2 |
C7H16O2 |
132.2 |
RA3P |
Peroxide from A3O2 |
CH3CH2CH2OOH |
76.11 |
RB3P |
Peroxide from B3O2 |
CH3CH(OOH)CH3 |
76.11 |
RCHO |
Lumped aldehyde >= C3 |
CH3CH2CHO |
58.09 |
RCOOH |
> C2 organic acids |
C2H5C(O)OH |
74.09 |
RIPA |
1,2-ISOPOOH |
C5H10O3 |
118.15 |
RIPB |
4,3-ISOPOOH |
C5H10O3 |
118.15 |
RIPC |
d-1,4-ISOPOOH |
C5H10O3 |
118.15 |
RIPD |
d-4,1-ISOPOOH |
C5H10O3 |
118.15 |
RNO3 |
Lumped aromatic nitrate |
RO2NO |
203.15 |
RP |
Peroxide from RCO3 |
CH3CH2C(O)OOH |
90.09 |
SALA |
Fine (0.01-0.05 microns) sea salt aerosol |
not listed |
31.4 |
SALAAL |
Accumulation mode sea salt alkalinity |
not listed |
31.4 |
SALACL |
Chloride in Accumulation mode sea salt aerosol |
not listed |
35.45 |
SALC |
Coarse (0.5-8 microns) sea salt aerosol |
not listed |
31.4 |
SALCAL |
Coarse mode sea salt alkalinity |
not listed |
31.4 |
SALCCL |
Chloride in Coarse mode sea salt aerosol |
not listed |
35.45 |
SO2 |
Sulfur dioxide |
SO2 |
64.04 |
SO4 |
Sulfate |
SO4 |
96.06 |
SO4s |
Sulfate on surface of seasalt aerosol |
not listed |
31.4 |
SOAGX |
Aerosol-phase glyoxal |
C2H2O2 |
58.04 |
SOAIE |
Aerosol-phase IEPOX |
C5H10O3 |
118.15 |
SOAP |
SOA Precursor - lumped species for simplified SOA parameterization |
not listed |
150.0 |
SOAS |
SOA Simple - simplified non-volatile SOA parameterization |
not listed |
150.0 |
STYR |
Styrene |
C8H8 |
104.1491 |
TLFUONE |
Aromatic furanones |
C5H6O2 |
98.1 |
TMB |
Trimethylbenzenes |
C8H10 |
106.167 |
TOLU |
Toluene |
C7H8 |
92.15 |
XYLE |
Xylene |
C8H10 |
106.18 |
Species |
Description |
Formula |
MW (g) |
---|---|---|---|
A3O2 |
Primary peroxy radical from C3H8 |
CH3CH2CH2OO |
75.1 |
ACRO2 |
Peroxy radical from ACR |
C3H5O4 |
105.07 |
ACO3 |
Peroxyacetyl radical for APAN |
C3H3O3 |
87.054 |
ALK4N1 |
Peroxy radical from ALK4N2 |
C4H8NO5 |
150.13 |
ALK4O2 |
Peroxy radical from ALK4 |
C4H9O2 |
89.13 |
AROMRO2 |
hydroxy-peroxy radical from aromatics |
C6H7O3 |
127.0 |
AROMCO3 |
Lumped aromatic peroxyacetyl radical |
C5H5O6 |
161.09 |
ATO2 |
Peroxy radical from acetone |
CH3C(O)CH2O2 |
89.08 |
B3O2 |
B3O2 |
CH3CH(OO)CH3 |
75.1 |
BENZO |
alkoxy radical from aromatics |
C6H5O |
93.0 |
BENZO2 |
peroxy radical from aromatics |
C6H5O2 |
109.0 |
BRO2 |
Peroxy radical from BENZ oxidation |
C6H7O5 |
159.13 |
BUTO2 |
peroxy radical from C4H6 |
C4H7O3 |
103.097 |
BZCO3 |
Acyl peroxy radical from benzaldehyde |
C7H5O3 |
137.0 |
C4HVP1 |
C4 hydroxy-vinyl peroxy radicals from HPALDS |
C4H7O3 |
103.11 |
C4HVP2 |
C4 hydroxy-vinyl peroxy radicals from HPALDS |
C4H7O3 |
103.11 |
CH2OO |
Criegee intermediate |
CH2OO |
46.03 |
CH3CHOO |
Criegee intermediate |
CH3CHOO |
60.06 |
CO2 |
Carbon dioxide |
CO2 |
44.01 |
ETO |
alkoxy radical from ETOO |
HOCH2CH2O |
61.06 |
ETOO |
peroxy radical from ethene |
HOCH2CH2OO |
77.06 |
ETO2 |
ETO2 |
CH3CH2OO |
61.07 |
GCO3 |
Peroxyacetyl radical for PHAN |
HOCH2CO3 |
91.0428 |
H |
Atomic hydrogen |
H |
1.01 |
HO2 |
Hydroperoxyl radical |
HO2 |
33.01 |
HPALD1OO |
HPALD1OO |
C5H7O5 |
147.12 |
HPALD2OO |
HPALD2OO |
C5H7O5 |
147.12 |
ICHOO |
Peroxy radical from IEPOXD |
C5H9O5 |
149.14 |
ICNOO |
Peroxy radicals from ICN |
C5H8NO7 |
194.14 |
IDHNBOO |
Peroxy radicals from INPB |
C5H10NO7 |
196.16 |
IDHNDOO1 |
Peroxy radicals from INPD |
C5H10NO7 |
196.16 |
IDHNDOO2 |
Peroxy radicals from INPD |
C5H10NO7 |
196.16 |
IDNOO |
IDNOO |
C5H9N2O6 |
241.14 |
IEPOXAOO |
Peroxy radical from trans-Beta isoprene epoxydiol |
C5H8O5 |
149.14 |
IEPOXBOO |
peroxy radical from cis-Beta isoprene epoxydiol |
C5H9O5 |
149.14 |
IHOO1 |
Peroxy radical from OH addition to isoprene at C1 |
C5H9O3 |
117.14 |
IHOO4 |
Peroxy radical from OH addition to isoprene at C4 |
C5H9O3 |
117.14 |
IHPNBOO |
Peroxy radicals from INPB |
C5H10NO8 |
212.16 |
IHPNDOO |
Peroxy radicals from INPD |
C5H10NO8 |
212.16 |
IHPOO1 |
Peroxy radical from ISOPOOH |
C5H11O6 |
167.16 |
IHPOO2 |
Peroxy radical from ISOPOOH |
C5H11O6 |
167.16 |
IHPOO3 |
Peroxy radical from ISOPOOH |
C5H11O6 |
167.16 |
INA |
Alkoxy radical from INO2D |
C5H8NO4 |
146.14 |
INO2B |
beta-peroxy radicals from isoprene + NO3 |
C5H8NO5 |
162.14 |
INO2D |
delta-peroxy radicals from isoprene + NO3 |
C5H8NO5 |
162.14 |
ISOPNOO1 |
Peroxy radicals from IHN2 |
C5H10NO7 |
196.16 |
ISOPNOO2 |
Peroxy radicals from IHN3 |
C5H10NO7 |
196.16 |
KO2 |
Peroxy radical from >3 ketones |
C4H5O3 |
101.09 |
LBRO2H |
Dummy species to track oxidation of BRO2 by HO2 |
not listed |
159.13 |
LBRO2N |
Dummy species to track oxidation of BRO2 by NO |
not listed |
159.13 |
LIMO2 |
Peroxy radical from LIMO |
C10H17O3 |
185.27 |
APINO2 |
Peroxy radical from APIN |
C10H17O3 |
185.27 |
PINO3 |
Acylperoxy radical from APIN |
C10H17O3 |
185.27 |
C96O2 |
2nd-gen peroxy radical from APIN |
C10H17O3 |
185.27 |
BPINO2 |
Peroxy radical from BPIN |
C10H17O3 |
185.27 |
BPINOO2 |
2nd-gen peroxy radical from BPIN |
C10H17O3 |
185.27 |
LIMKO2 |
2nd-gen peroxy radical from LIMO |
C10H17O3 |
185.27 |
LIMO3 |
Acylperoxy radical from LIMO |
C10H17O3 |
185.27 |
LISOPOH |
Dummy species to track oxidation of ISOP by OH |
not listed |
68.13 |
LISOPNO3 |
Dummy species to track oxidation of ISOP by NO3 |
not listed |
68.13 |
LNRO2H |
Dummy species to track oxidation of NRO2 by HO2 |
not listed |
159.17 |
LNRO2N |
Dummy species to track oxidation of NRO2 by NO |
not listed |
159.17 |
LTRO2H |
Dummy species to track oxidation of TRO2 by HO2 |
not listed |
173.16 |
LTRO2N |
Dummy species to track oxidation of TRO2 by NO |
not listed |
173.16 |
LXRO2H |
Dummy species to track oxidation of XRO2 by HO2 |
not listed |
187.19 |
LXRO2N |
Dummy species to track oxidation of XRO2 by NO |
not listed |
187.19 |
MACR1OO |
Peroxyacyl radical from MACR + OH |
CH2=C(CH3)C(O)OO |
101.09 |
MACRNO2 |
Product of MCRHN + OH |
C4H6NO7 |
180.1 |
MCO3 |
Peroxyacetyl radical |
CH3C(O)OO |
75.05 |
MCROHOO |
Peroxy radical from MACR + OH |
C4H7O4 |
119.11 |
MEKCO3 |
not listed |
C3H5O4 |
105.07 |
MO2 |
Methylperoxy radical |
CH3O2 |
47.04 |
MVKOHOO |
Peroxy radical from MVK + OH |
C4H7O4 |
119.11 |
N |
Atomic nitrogen |
N |
14.01 |
NAP |
Naphtalene/IVOC surrogate |
C10H8 |
128.18 |
NRO2 |
Peroxy radical from NAP oxidation |
C10H7O2 |
159.17 |
O |
Ground state atomic oxygen |
O(3P) |
16.0 |
O1D |
Excited atomic oxygen (1D) |
O(1D) |
16.0 |
OH |
Hydroxyl radical |
OH |
17.01 |
OLND |
Monoterpene-derived NO3-alkene adduct |
C10H16NO5 |
230.27 |
OLNN |
Monoterpene-derived NO3 adduct |
C10H16NO5 |
230.27 |
OTHRO2 |
Other C2 RO2 not from C2H6 oxidation |
CH3CH2OO |
61.07 |
PIO2 |
Peroxy radical from MTPA |
C10H17O3 |
185.27 |
PO2 |
Peroxy radical from propene |
HOCH2CH(OO)CH3 |
91.1 |
PRN1 |
Peroxy radical from propene + NO3 |
O2NOCH2CH(OO)CH3 |
136.09 |
R4N1 |
Peroxy radical from R4N2 |
C4H8NO5 |
150.13 |
R4O2 |
Peroxy radical from isoprene and MTPA alkyl generation |
C4H9O2 |
89.13 |
R7O2 |
Peroxy radical from ALK6 |
C7H15O2 |
131.19 |
R7N1 |
Peroxy radical from R7N2 |
C7H15NO5 |
161.2 |
RCO3 |
Peroxypropionyl radical |
CH3CH2C(O)OO |
89.08 |
ROH |
> C2 alcohols |
C3H7OH |
60.11 |
TLFUO2 |
not listed |
C5H7O5 |
147.1 |
TRO2 |
Peroxy radical from TOLU oxidation |
C7H9O5 |
173.16 |
XRO2 |
Peroxy radical from TOLU oxidation |
C8H11O5 |
187.19 |
PH2SO4 |
SO4 from gas-phase chemistry |
not listed |
96.06 |
PSO4AQ |
SO4 from cloud chemistry |
not listed |
96.06 |
ZRO2 |
RO2 for making lumped aromatic nitrate |
C7H9O5 |
173.16 |
H2 |
Molecular hydrogen |
H2 |
2.02 |
N2 |
Molecular nitrogen |
N2 |
28.02 |
O2 |
Molecular oxygen |
O2 |
32.0 |
Benchmark
Fullchem simulations with the Benchmark option allow the `GEOS-Chem Support Team <https://geoschem.github.io/support-team.html`_ `to perform simulations that document the performance and evolution of GEOS-Chem over time.
Benchmark simulations use all of the Standard species, as well as the Complex SOA species listed below. However, the complex SOA species are carried solely for diagnostic purposes.
Complex SOA
Fullchem simulations with Complex SOA option use all of the Standard species, plus 15 additional transported species.
Species |
Description |
MW (g) |
---|---|---|
ASOA1 |
Lumped non-volatile aerosol products of light aromatics + IVOCs |
150.0 |
ASOA2 |
Lumped non-volatile aerosol products of light aromatics + IVOCs |
150.0 |
ASOA3 |
Lumped non-volatile aerosol products of light aromatics + IVOCs |
150.0 |
ASOAN |
Lumped non-volatile aerosol products of light aromatics + IVOCs |
150.0 |
ASOG1 |
Lumped non-volatile gas products of light aromatics + IVOCs |
150.0 |
ASOG2 |
Lumped non-volatile gas products of light aromatics + IVOCs |
150.0 |
ASOG3 |
Lumped non-volatile gas products of light aromatics + IVOCs |
150.0 |
TSOA0 |
Lumped semivolatile aerosol products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOA1 |
Lumped semivolatile aerosol products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOA2 |
Lumped semivolatile aerosol products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOA3 |
Lumped semivolatile aerosol products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOG0 |
Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOG1 |
Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOG2 |
Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation |
150.0 |
TSOG3 |
Lumped semivolatile gas products of monoterpene + sesquiterpene oxidation |
150.0 |
You may archive several complex SOA diagnostic quantities to the AerosolMass History collection.
Complex SOA plus semi-volatile POA
Fullchem simulations with Complex SOA plus semi-volatile POA use all of the Standard species and Complex SOA species, plus several additional transported primary organic aerosol species.
Species |
Description |
MW (g) |
---|---|---|
OPOA1 |
Lumped aerosol product of SVOC oxidation |
12.01 |
OPOA2 |
Lumped aerosol product of SVOC oxidation |
12.01 |
OPOG1 |
Lumped gas product of SVOC oxidation |
12.01 |
OPOG2 |
Lumped gas product of SVOC oxidation |
12.01 |
POA1 |
Lumped aerosol primary SVOCs |
12.01 |
POA2 |
Lumped aerosol primary SVOCs |
12.01 |
POG1 |
Lumped gas primary SVOCs |
12.01 |
POG2 |
Lumped gas primary SVOCs |
12.01 |
Marine POA
Fullchem simulations with Marine POA use all of the Standard species, plus two additional transported aerosol species.
Species |
Description |
Formula |
MW (g) |
---|---|---|---|
MOPI |
Hydrophilic marine organic carbon aerosol |
C |
12.01 |
MOPO |
Hydrophobic marine organic carbon aerosol |
C |
12.01 |
Acid uptake on dust
Fullchem simulations with Acid uptake on dust use all of the Standard species, plus 12 additional transported species.
Species |
Description |
MW (g) |
---|---|---|
DSTAL1 |
Dust alkalinity, Reff = 0.7 \(\mu\text{m}\) |
29.0 |
DSTAL2 |
Dust alkalinity, Reff = 1.4 \(\mu\text{m}\) |
29.0 |
DSTAL3 |
Dust alkalinity, Reff = 2.4 \(\mu\text{m}\) |
29.0 |
DSTAL4 |
Dust alkalinity, Reff = 4.5 \(\mu\text{m}\) |
29.0 |
NITD1 |
Nitrate on dust, Reff = 0.7 \(\mu\text{m}\) |
29.0 |
NITD2 |
Nitrate on dust, Reff = 1.4 \(\mu\text{m}\) |
29.0 |
NITD3 |
Nitrate on dust, Reff = 2.4 \(\mu\text{m}\) |
29.0 |
NITD4 |
Nitrate on dust, Reff = 4.5 \(\mu\text{m}\) |
29.0 |
SO4D1 |
Sulfate on dust, Reff = 0.7 \(\mu\text{m}\) |
29.0 |
SO4D2 |
Sulfate on dust, Reff = 1.4 \(\mu\text{m}\) |
29.0 |
SO4D3 |
Sulfate on dust, Reff = 2.4 \(\mu\text{m}\) |
29.0 |
SO4D4 |
Sulfate on dust, Reff = 4.5 \(\mu\text{m}\) |
29.0 |
TOMAS aerosol microphysics
Fullchem simulations with TOMAS aerosol microphysics use all of the Standard species, plus several additional size-resolved aerosol species. Note that the bulk dust species (DST1, DST2, DST3, DST4) species are replaced with size-resolved dust species (DUST1 .. DUST40).
Species |
Description |
MW (g) |
---|---|---|
AW01 .. AW40 |
Aerosol water, size bins 1 .. 40 |
18.0 |
DUST01 .. DUST40 |
Mineral dust, size bins 1 .. 40 |
100.0 |
ECIL01 .. ECIL40 |
Hydrophilic elemental carbon, size bins 1 .. 40 |
12.01 |
ECOB01 .. ECOB40 |
Hydrophobic elemental carbon, size bins 1 .. 40 |
12.01 |
H2SO4: |
Sulfuric acid |
98.0 |
NK01 .. NK40 |
Aerosol number, size bins 1..40 |
1.0 |
OCIL01 .. OCIL40 |
Hydrophilic organic carbon, size bins 1 .. 40 |
12.01 |
OCOB01 .. OCOB40 |
Hydrophilic organic carbon, size bins 1 .. 40 |
12.01 |
SF01 .. SF40 |
Sulfate aerosol, size bins 1 .. 40 |
96.0 |
SS01 .. SS40 |
Sea salt aerosol, size bins 1 .. 40 |
58.5 |
You must request TOMAS aerosol microphysics at configuration time. You may select either TOMAS with 15 size-resolved bins or with 40 size-resolved bins. Please see this section for configuration and compilation instructions.
You may archive several TOMAS diagnostic quantities to the TOMAS History collection.
APM aerosol microphysics
Fullchem simulations with APM aerosol microphysics use all species listed in the Standard, as well as the following species:
Species |
Description |
MW (g) |
---|---|---|
APMAMINE1 |
APM amines 1 |
31.0 |
APMAMINE2 |
APM amines 2 |
45.0 |
APMAMINE3 |
APM amines 3 |
59.0 |
APMBCBIN01 .. APMBCBIN15 |
APM black carbon, size bins 01 .. 15 |
12.01 |
APMCTBC1 |
APM CTSO4 |
96.0 |
APMCTBC2 |
APM CTSLVSOA |
181.0 |
APMCTDST1 |
APM CTSO4 |
96.0 |
APMCTDST2 |
APM CTLVSOA |
181.0 |
APMCTOC1 |
APM CTSO4 |
96.0 |
APMCTOC2 |
APM CTLVSOA |
181.0 |
APMCTSEA1 |
APM CTSO4 |
96.0 |
APMCTSEA2 |
APM CTLVSOA |
181.0 |
APMDSTBIN01 .. APMDSTBIN15 |
APM Dust |
29.0 |
APMH2SO4 |
APM sulfuric acid |
98.0 |
APMLVSOA |
APM LVSOA |
181.0 |
APMLVSOG |
APM LV secondary organic gas |
181.0 |
APMOCBIN01 .. APMOCBIN15 |
APM organic carbon, size bins 01 .. 15 |
12.01 |
APMSEABIN01 .. APMSEABIN20 |
APM sea salt, size bins 01 .. 20 |
12.01 |
APMSPBIN01 .. APMSPBIN40 |
APM sulfate, size bins 01 .. 40 |
96.0 |
You must request APM aerosol microphysics at configuration time. Please see this section for configuration and compilation instructions.
RRTMG radiative transfer model
Fullchem simulations with the RRTMG radiative transfer model use the Standard species. No additional species are included. Radiative forcing diagnostics can be archived to the RRTMG History collection.