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

Standard

The default full chemistry simulation. Uses a simple SOA species and precursor.

Benchmark

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.

Complex SOA

Replaces the simple SOA species and precursor with the Pye et al. [2010] complex SOA scheme.

Complex SOA plus semi-volatile POA

Replaces the simple SOA species and precursor with the Pye et al. 2010 complex SOA scheme, plus semi-volatile POA species.

Marine POA

Adds species MOPI (hydrophilic marine POA) and MOPO (hydrophobic marine POA).

Acid uptake on dust

Adds several species to track how acids are taken up by dust and other aerosols.

TOMAS

Replaces the default bulk aerosol scheme with TOMAS Aerosol Microphysics.

APM

Replaces the default bulk aerosol scheme with the APM Aerosol Microphysics.

RRTMG

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:

Transported species (Standard option)

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

Non-transported species (Standard option)

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.

Additional transported species (Complex SOA)

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.

Additional transported species (Complex SOA with SVPOA)

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.

Additional transported species (Marine POA)

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.

Additional transported species (Acid uptake on dust)

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).

Additional transported species (TOMAS)

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:

Additional transported species (APM)

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.