GEOS-Chem species: Wet deposition metadata

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This Guide has not been updated since GEOS-Chem 12.8.0. Species properties for newer GEOS-Chem versions are now contained in the species_database.yml run-directory configuration file.


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  1. Species in GEOS-Chem
  2. Henry's law parameters
  3. Dry deposition parameters
  4. Wet deposition parameters
  5. GEOS-Chem species database
  6. GEOS-Chem species units
  7. Adding passive species to GEOS-Chem
  8. Species indexing in GEOS-Chem


Overview

Each wet-depositing species in GEOS-Chem contains one or more of the following properties, depending on whether the species is a gas or aerosol:

Properties for aerosol species

Quantity Units Description
WD_Is_HNO3 1 Flag to determine if the species is HNO3.
  • Rainout/washout of HNO3 needs to be handled separately from other gas-phase species.
  • WD_Is_HNO3 will be automatically determined, depending on the value of Name.
WD_Is_SO2 1 Flag to determine if the species is SO2.
  • Rainout/washout of HNO3 separately from other gas-phase species.
  • WD_Is_SO2 will be automatically determined, depending on the value of Name.
WD_Is_H2SO4 1 Flag to determine if the species is H2SO4.
  • Rainout/washout of H2SO4 needs to be handled separately from other gas-phase species.
  • WD_Is_H2SO4 will be automatically determined, depending on the value of Name.
  • H2SO4 is a species in TOMAS aerosol microphysics only.
WD_CoarseAer 1 Set this flag to indicate that the species is a coarse aerosol (i.e. having a radius > 1 μm)
  • Washout of coarse aerosols is handled separately from the washout of fine aerosols.
WD_AerScavEff 1 Specifies the aerosol scavenging efficiency. This factor multiplies F, the fraction of aerosol species that is lost to convective updraft scavenging (cf Eq. 2 of Jacob et al 2000).
  • For most aerosol species, WD_AerScavEff = 1.0.
  • For secondary organic aerosol species, WD_AerScavEff = 0.8.
  • For hydrophobic species (e.g. MOPO), WD_AerScavEff = 0.0.

WD_AerScavEff is applied in routine COMPUTE_F of GEOS-Chem module wetscav_mod.F90.

WD_KcScaleFac 1 Specifies a temperature-dependent scale factor that is used to multiply K (aka Kc), the rate constant for conversion of cloud condensate to precipitation (cf Eq. 1 of Jacob et al, 2000).

WD_KcScaleFac is defined as a 3-element vector, where:

  • WD_KcScaleFac(1) multiplies K when T < 237 K.
  • WD_KcScaleFac(2) multiplies K when 237 K <= T < 258 K.
  • WD_KcScaleFac(3) multiplies K when T >= 258K.

This allows us to better simulate scavenging by snow, where, for most species, we need to halve the K rate when 237 K <= T < 258 K. This can be easily done by setting the value KcScaleFac(2) = 0.5.

WD_KcScaleFac is applied in routine F_AEROSOL of GEOS_Chem module GeosCore/wetscav_mod.F.

WD_RainoutEff 1 Specifies a temperature-dependent scale factor that is used to multiply Fi (aka RAINFRAC), the fraction of species scavenged by rainout (cf Eq. 1 of Jacob et al, 2000).

WD_RainoutEff is defined as a 3-element vector, where:

  • WD_RainoutEff(1) multiplies Fi when T < 237 K.
  • WD_RainoutEff(2) multiplies Fi when 237 K <= T < 258 K.
  • WD_RainoutEff(3) multiplies Fi when T >= 258K.

This allows us to better simulate scavenging by snow and impaction scavenging of BC. For most species, we need to be able to turn off rainout when 237 K <= T < 258 K. This can be easily done by setting RainoutEff(2) = 0.

WD_RainoutEff is applied in routine APPLY_RAINOUT_EFF of GEOS_Chem module GeosCore/wetscav_mod.F.

NOTE: For secondary organic aerosol species, the maximum value of WD_RainoutEff will be 0.8 instead of 1.0.

--Bob Yantosca (talk) 19:06, 12 May 2020 (UTC)

Properties for gas-phase species

Quantity Units Description
WD_LiqAndGas 1 True/False flag indicating whether the ice-to-gas ratio needs to be computed for by co-condensation.

.

WD_ConvFacI2G 1 Specifies the conversion factor (i.e. the ratio of sticking coefficients on the ice surface) for computing the ice-to-gas-ratio by co-condensation (cf. Eq. 9 of Jacob et al, 2000).
  • WD_ConvFacI2G only needs to be specified for those species having WD_LiqAndGas = TRUE.
WD_RetFactor 1 Specifies the retention efficiency Ri of tracer in the liquid cloud condensate as it is converted to precipitation. (Ri < 1 accounts for volatization during riming.) The retention factor is defined in Eq. 1 of Jacob et al, 2000.

--Bob Yantosca (talk) 19:08, 12 May 2020 (UTC)

Table of co-condensation parameters

The quantities in each column are defined in our Overview section above.

For the species listed below, the ice-to-gas ratio is computed by co-condensation (see Eq. 9 of Jacob et al, 2000).

Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_LiqAndGas
[1] 		WD_ConvFacI2G
[1] 		References
H2O2 34.2 - - YES 4.36564e-1 Jacob et al 2000
NH3 17.04 - - YES 6.17395e-1 Jacob et al 2000

Table of all other wet-deposition parameters

Search for species alphabetically: (A-B-C) (D-E-F-G) (H) (I) (J-K-L-M) (N-O) (P-Q-R) (S through Z)

The quantities in each column are defined in our Overview section above.

A-B-C

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
ACTA 60.06 - - - - - - - - - - 0.02 -
AERI 126.9 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
ALD2 44.06 12.0 2.0 - - - - - - - - 0.02 -
ASOA1
ASOA2
ASOA3
ASOAN 		150.0 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
ASOG1
ASOG2
ASOG3 		150.0 - - - - - - - - - - 0.02 -
ATOOH 90.09 - - - - - - - - - - 0.02 -
BCPI 12.01 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
BCPO 12.01 - - - - 1.0 1.0 0.5 1.0 1.0 0.0 - -
Be7
Be7Strat 		7.0 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
Be10
Be10Strat 		10.0 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
Br2 159.8 - - - - - - - - - - 0.0 -
BrSALA 79.9 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
BrSALC 79.9 - - YES NO 1.0 0.5 1.0 1.0 0.0 1.0 - -
CH2O 30.03 - - - - - - - - - - 0.02 -

D-E-F-G

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
DST1
DSTAL1 		29.0 - - - - 1.0 1.0 1.0 1.0 1.0 0.0 - -
DST2
DSTAL2 		29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
DST3
DSTAL3 		29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
DST4
DSTAL4 		29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
DUST1-
DUST40
(TOMAS) 		100 100 - - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
ECIL1-
ECIL40
(TOMAS) 		96.0 96.0 - - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
EOH 46.08 12.0 2.0 - - - - - - - - 0.02 -
ETHLN 105.06 - - - - - - - - - - 0.02 -
ETP 62.08 - - - - - - - - - - 0.02 -
GLYC 60.06 - - - - - - - - - - 0.02 -
GLYX 58.04 - - - - - - - - - - 0.02 -

H

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
H2O2 34.02 - - - - - - - - - - 5e-2 -
HAC 74.08 - - - - - - - - - - 0.02 -
HBr 80.91 - - - - - - - - - - 1.0 -
HC5A 100.13 - - - - - - - - - - 0.02 -
HCl 36.45 - - - - - - - - - - 1.0 -
HCOOH 46.03 - - - - - - - - - - 0.02 -
Hg2 200.59 - - - - - - - - - - 1.0 -


HgP 200.59 - - - - 1.0 0.5 1.0 1.0 1.0 1.0 - -
HI 127.91 - - - - - - - - - - 1.0 -
HMHP 64.05 - - - - - - - - - - 0.02 -
HMML 102.1 - - - - - - - - - - 0.02 -
HNO3 63.01 - - - - 1.0 1.0 1.0 1.0 1.0 1.0 - -
HOI 143.89 - - - - - - - - - - 0.02 -
HONIT 215.0 - - - - - - - - - - 0.02 -

I

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
I2O2 285.8 - - - - - - - - - - 1.0 -
I2O3 301.8 - - - - - - - - - - 1.0 -
I2O4 317.8 - - - - - - - - - - 1.0 -
ICHE 116.13 - - - - - - - - - - 0.02 -
ICN 145.13 - - - - - - - - - - 0.02 -
ICPDH 150.15 - - - - - - - - - - 0.02 -
IDCHP 148.13 - - - - - - - - - - 0.02 -
IDHDP 168.17 - - - - - - - - - - 0.02 -
IDHPE 150.15 - - - - - - - - - - 0.02 -
IDN 192.15 - - - - - - - - - - 0.02 -
IEPOXA
IEPOXB
IEPOXD 		106.14 - - - - - - - - - - 0.02 -
IHN1
IHN2
IHN3 		147.15 - - - - - - - - - - 0.02 -
IHN4 147.15 - - - - - - - - - - 0.02 -
INDIOL 102.0 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
INPB
INPD 		163.15 - - - - - - - - - - 0.02 -
IONITA 14.01 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
IONO 172.91 - - - - - - - - - - 0.02 -
IONO2 188.91 - - - - - - - - - - 1.0 -
ISALA 126.9 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
ISALC 126.9 - - YES - 1.0 0.5 1.0 1.0 0.0 1.0 - -
ITCN 195.15 - - - - - - - - - - 0.02 -
ITHN 197.17 - - - - - - - - - - 0.02 -

J-K-L-M

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
LIMO 136.26 - - - - - - - - - - 0.02 -
LVOC 154.19 - - - - - - - - - - 0.02 -
LVOCOA 154.19 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
MACR1OOH 102.1 - - - - - - - - - - 0.02 -
MAP 76.06 - - - - - - - - - - 0.02 -
MCRDH 104.12 - - - - - - - - - - 0.02 -
MCRENOL 86.1 - - - - - - - - - - 0.02 -
MCRHN
MCRHNB 		149.11 - - - - - - - - - - 0.02 -


MCRHP 120.12 - - - - - - - - - - 0.02 -
MEK 72.11 12.0 4.0 - - - - - - - - 0.02 -
MGLY 72.07 - - - - - - - - - - 0.02 -
MOH 32.05 - - - - - - - - - - 0.02 -
MONITA 14.01 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
MONITS 215.28 - - - - - - - - - - 0.02 -
MONITU 215.28 - - - - - - - - - - 0.02 -
MOPI 12.01 - - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
MP 48.05 - - - - - - - - - - 0.02 -
MPAN 147.1 - - - - - - - - - - 0.02 -
MPN 93.05 - - - - - - - - - - 0.02 -
MSA 96.1 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
MTPA 136.26 - - - - - - - - - - 0.02 -
MTPO 136.26 136.23 - - - - - - - - - 0.02 -
MVK 70.09 - - - - - - - - - - 0.02 -
MVKDH 105.13 - - - - - - - - - - 0.02 -
MVKHC 102.1 - - - - - - - - - - 0.02 -
MVKHCB 102.1 - - - - - - - - - - 0.02 -
MVKHP 120.12 - - - - - - - - - - 0.02 -
MVKN 149.12 - - - - - - - - - - 0.02 -
MVKPC 118.1 - - - - - - - - - - 0.02 -

N-O

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
NH3 17.04 - - - - - - - - - - 0.05 -
NH4 18.05 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
NIT 62.01 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
NITD1 29.0 - - - - 1.0 1.0 1.0 1.0 1.0 0.0 - -
NITD2 29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
NITD3 29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
NITD4 29.0 - - YES - 1.0 1.0 1.0 1.0 1.0 0.0 - -
NITs 31.4 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
NK1-NK40
(TOMAS) 		1 1 - - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCIL1-OCIL40
(TOMAS) 		12.01 - - - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCPI 12.01 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCPO 12.01 12.0 - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
OPOA1
OPOA2 		12.01 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
OPOG1
OPOG2 		- - - - - - - - - - - 0.02 -

P-Q-R

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
PAN 121.06 - - - - - - - - - - 0.02 -
Pb210 210.0 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
Pb210Strat 210.0 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
pFe 55.85 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POA1
POA2 		12.01 - - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
POG1
POG2 		12.01 - - - - - - - - - - 0.02 -
POPG_BaP 252.32 - - - - - - - - - - 0.0 -
POPG_PHE 178.24 - - - - - - - - - - 0.0 -
POPG_PYR 202.26 - - - - - - - - - - 0.0 -
POPBCPI_BaP 252.32 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPBCPI_PHE 178.24 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPBCPI_PYR 202.26 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPBCPO_BaP 252.32 - - - - 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPBCPO_PHE 178.24 - - - - 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPBCPO_PYR 202.26 - - - - 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPOCPI_BaP 252.32 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPOCPI_PHE 178.24 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPOCPI_PYR 202.26 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPOCPO_BaP 252.32 - - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
POPOCPO_PHE 178.24 - - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
POPOCPO_PYR 202.26 - - - - 0.5 0.5 0.5 0.0 0.0 0.0 - -
PP 92.11 - - - - - - - - - - 0.02 -
PPN 135.08 - - - - - - - - - - 0.02 -
PROPNN 119.08 - - - - - - - - - - 0.02 -
PRPE 42.09 12.0 3.0 - - - - - - - - 0.02 -
PRPN 137.11 - - - - - - - - - - 0.02 -
PYAC 88.07 - - - - - - - - - - 0.02 -
R4N2 119.1 - - - - - - - - - - 0.02 -
R4P 90.14 - - - - - - - - - - 0.02 -
RA3P 76.11 - - - - - - - - - - 0.02 -
RB3P 76.11 - - - - - - - - - - 0.02 -
RCHO 58.09 - - - - - - - - - - 0.02 -
RIPA
RIPB
RIPC
RIPD 		118.15 - - - - - - - - - - 0.02 -
RP 90.09 - - - - - - - - - - 0.02 -

S through Z

Aerosol Species Parameters Gas-phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		WD_Coarse
Aer
[?] 		WD_Aer
ScavEff
[1] 		WD_KcScaleFac
[1] 		WD_RainoutEff
[1] 		WD_Ret
Factor
[1] 		References
T < 237 K 237 K <= T < 258 K T > 258 K T < 237 K 237 K <= T < 258 K T > 258 K
SALA 31.4 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
SALC 31.4 - - True - 1.0 0.5 1.0 1.0 0.0 1.0 - -
SF1-
SF40
(TOMAS) 		96 96 - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SO2 64.04 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
SO4 96.06 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
SO4D1 29.0 - - - - 1.0 1.0 1.0 1.0 1.0 0.0 - -
SO4D2 29.0 - - True - 1.0 1.0 1.0 1.0 1.0 0.0 - -
SO4D3 29.0 - - True - 1.0 1.0 1.0 1.0 1.0 0.0 - -
SO4D4 29.0 - - True - 1.0 1.0 1.0 1.0 1.0 0.0 - -
SO4s 31.4 - - - - 1.0 0.5 1.0 1.0 0.0 1.0 - -
SOAGX 58.04 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
SOAIE 118.15 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
SOAS 150.0 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -


SS1-
SS40
(TOMAS) 		58.5 58.5 - - 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
TSOA0
TSOA1
TSOA2
TSOA3 		150.0 - - - - 1.0 0.5 1.0 0.8 0.0 0.8 - -
TSOG0
TSOG1
TSOG2
TSOG3
 150.0 150.0 - - - - - - - - - 0.02 -

Notes

We follow the algorithm of Qiaoqiao Wang et al (2014) for scavenging by snow and impaction scavenging for BC and IN, namely when 237 K <= T < 258 K:

  1. Multiply Kc—the rate at which cloud condensate changes into precipitation— by 0.5, and
  2. Allow black carbon, dust, HNO3, 210Pb, and 7Bethe following species, which are considered to be IN, to be rained out (aka "cold cloud scavenging").
  3. Do not allow any other soluble aerosol species to rain out (i.e. set the rainout fraction to zero).

--Bob Yantosca (talk) 21:41, 12 May 2020 (UTC)

References

To be added


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