Physical properties of GEOS-Chem species

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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.


Previous | Next | Guide to species in GEOS-Chem

  1. Species in GEOS-Chem
  2. Physical properties of GEOS-Chem species
  3. GEOS-Chem species database
  4. GEOS-Chem species units
  5. Adding passive species to GEOS-Chem
  6. Species indexing in GEOS-Chem


For the most up-to-date information, please see the View GEOS-Chem Species Properties chapter of geos-chem.readthedocs.io


Overview

The GEOS-Chem Support Team has created a common data structure (aka the "GEOS-Chem species database") that stores all of the various physical properties for GEOS-Chem species. Formerly, these properties were defined (and sometimes redefined) in several locations in the code.

For example, the effective Henry's law value Heff is calculated differently in the wet deposition module than in the dry deposition module. The GEOS-Chem wet deposition module assumes a pH value of 4.5 for rainwater, and thus uses a set of Henry’s law constants that are appropriate for this pH. On the other hand, the GEOS-Chem dry deposition module assumes a pH of 7 for water, and therefore uses a different set of Henry’s law constants. Keeping two independent sets of Henry’s law constants can lead to confusion.

In the GEOS-Chem v10-01, Christoph Keller implemented a new GEOS-Chem module that can compute Heff for each species as a function of pH and the species-specific Henry’s law constants K0, CR, and pKA. These Henry’s law constants can be obtained from the literature (cf. Sander, Atmos. Chem. Phys. 15, 4399-4381, 2015, download from this site, or similar references). We would like to use Christoph’s new module to compute Heff in a consistent way everywhere in GEOS-Chem.

We now store these Henry's law constants together with other relevant physical parameters such as molecular weight, density, aerosol radius, reactivity factor for drydep (F0), etc. for each species. Keeping all of these physical properties in a single data structure will streamline the code and help to reduce confusion.

Phase 1 of the GEOS-Chem species database was completed in GEOS-Chem v11-01d. Phase 2 was completed in GEOS-Chem v11-01e. Further work is slated for GEOS-Chem v11-02.

--Bob Yantosca (talk) 19:33, 30 November 2016 (UTC)

Henry's law

Please see our GEOS-Chem species: Henry's law metadata wiki page for the latest information about Henry's law constants in GEOS-Chem.

Dry deposition

The table below shows the various dry-deposition parameters for both gas-phase and aerosol species. The quantities in each column correspond to fields of the Species derived type, as described on our GEOS-Chem species database wiki page.

Aerosol Species Parameters Gas-Phase Species Parameters
Species MW_g
[g mol-1] 		EmMW_g
[g mol-1] 		Molec
Ratio
[1] 		Radius
[m] 		Density
[kg m-3] 		DD_Aero
Drydep
[1] 		DD_Dust
Drydep
[1] 		DD_Dvz
AerSnow
[cm s-1] 		DD_Dvz
MinVal
[cm s-1] 		DD_F0
[1] 		References
ACET 58.08 12 3 - - - - - - 1.0 Karl et al [2010]
ALD2 44.05 12 2 - - - - - - 1.0 Karl et al [2010}??
ALK4 58.12 12 4 - - - - - - 1.0 From drydep_mod.F
ASOAN
ASOA1
ASOA2
ASOA3 		150 150 - - - - - 0.03 - - -
ASOG1
ASOG2
ASOG3 		150 150 - - - - - - - 0.0
BCPI
BCPO 		12.01 12 1 - - - - 0.03 - - -
Be7 201 201 - - - - - 0.03 - - -
Br2 160 160 - - - - - - - 0.0 -
BrNO3 142 142 - - - - - - - 0.0 -
CH2O 30 30 - - - - - - - 1.0 Karl et al [2010]?
DST1
DSTAL1
NITD1
SO4D1 		29 29 - 7.30e-07 2500 NO YES - - - -
DST2
DSTAL2
NITD2
SO4D2 		29 29 - 1.40e-06 2650 NO YES - - - -
DST3
DSTAL3
NITD3
SO4D3 		29 29 - 2.40e-06 2650 NO YES - - - -
DST4
DSTAL4
NITD4
SO4D4 		29 29 - 4.5e-06 2650 NO YES - - - -
GLYC 60 60 - - - - - - - 1.0 Karl et al [2010]
GLYX 58 58 - - - - - - - 1.0 -
H2O2 34 34 - - - - - - - 1.0 From drydep_mod.F
H2SO4 98 98 - - - - - - - 0.0
HAC 74 74 - - - - - - - 1.0 Karl et al [2010]
HBr 81 81 - - - - - - - - -
HCl 36 36 - - - - - - - 0.0
Hg0 201 201 - - - - - - - 1.0e-5
HgP 201 201 - - - - - 0.03 - - -
Hg2 201 201 - - - - - - - 0.0
HNO3 63 63 - - - - - - - 0.0 From drydep_mod.F
HOBr 97 97 - - - - - - - 0.0 -
IEPOX 118 118 - - - - - - - 1.0 Karl et al [2010]
ISOPN 147 147 - - - - - - - 1.0 Karl et al [2010]
ISOA1
ISOA2
ISOA3 		150 150 - - - - - 0.03 - 0.0 -
ISOG1
ISOG2
ISOG3 		150 150 - - - - - - - 0.0 -
LIMO
MTPA
MTPO 		136.23 136.23 - - - - - - - 0.0
MACR 70 70 - - - - - - - 1.0 Karl et al [2010]?
MAP 76 76 - - - - - - - 1.0 Karl et al [2010]
MMN 149 149 - - - - - - - 1.0 Karl et al [2010]
MOBA 114 114 - - - - - - - 1.0 Karl et al [2010]
MOPI 12.01 12 1 - - - - 0.03 - - -
MOPO 12.01 12 1 - - - - 0.03 - - -
MSA 96 96 - - - - - 0.03 0.01 snow
0.01 land 		- -
N2O5 63 63 - - - - - - - 0.0 See Note 1 below
NH3 17 17 - 0.0 - - - 0.03 0.2 snow
0.3 land 		- -
NH4 18 18 - - - - - 0.03 0.01 snow
0.01 land 		- -
MVK 70 70 - - - - - - - 1.0 Karl et al [2010]?
NIT 62 62 - - - - - 0.03 0.01 snow
0.01 land 		- -
NITs 31.4 31.4 - 4.25e-6 2200 YES NO - - - -
NO2 118 118 - - - - - - - 0.1 Karl et al [2010]
OCPI
OCPO
OPOA1
OPOA2
POA1
POA2 		12.01 12 1 - - - - 0.03 - - -
O3 48 48 - - - - - - - 1.0 Karl et al [2010]
OPOG1
OPOG2 		12.01 12 1 - - - - - - 0.0
PAN 121 121 - - - - - - - 1.0 Karl et al [2010]
Pb210 210 210 - - - - - 0.03 - - -
PMN 121 121 - - - - - - - 1.0 See Note 2 below
POG1
POG2 		12.01 12 1 - - - - - - 0.0 Karl et al [2010]?
POPPBCPI
POPBCPO
POPPOCPI
POPOCPO
(PHE) 		178.23 178.23 - - - - - 0.03 - - -
POPPBCPI
POPBCPO
POPPOCPI
POPOCPO
(PYR) 		202.25 202.25 - - - - - 0.03 - - -
POPPBCPI
POPBCPO
POPPOCPI
POPOCPO
(BaP) 		252.31 252.31 - - - - - 0.03 - - -
POPG (PHE) 178.23 178.23 - - - - - - - 0.0
POPG (PYR) 202.25 202.25 - - - - - - - 0.0
POPG (BaP) 252.31 252.31 - - - - - - - 0.0
PPN 121 121 - - - - - - - 1.0 See Note 2 below
PROPNN 119 119 - - - - - - - 1.0 Karl et al [2010]
R4N2 121 121 - - - - - - - 1.0 See Note 2 below
RIP 118 118 - - - - - - - 1.0 Karl et al [2010]
SALA 31.4 31.4 - 2.55e-7 2200 YES NO - - - -
SALC 31.4 31.4 - 4.25e-6 2200 YES NO - - - -
SO2 64 64 - - - - - 0.03 0.2 snow
0.3 land 		0.0 -
SO4 96 96 - - - - - 0.03 0.01 snow
0.01 land 		- -
SO4s 31.4 31.4 - 4.25e-6 2200 YES NO - - - -
TSOA0
TSOA1
TSOA2
TSOA3 		150 150 - - - - - 0.03 - 0.0 -
TSOG0
TSOG1
TSOG2
TSOG3 		150 150 - - - - - - - 0.0 -
TOMAS microphysics species Aerosol Species Parameters Gas-Phase Species Parameters
NK1-NK40 1 1 - - - - - 0.03 - - -

NOTES:

  1. N2O5 uses the same dry deposition velocity (Vd) as HNO3. In GEOS-Chem v11-01, we now compute Vd(N2O5) explicitly. We therefore have to assign to N2O5 the same F0, Hstar_old, and MW_g values that HNO3 uses in order for the computation of Vd to be done correctly.
  2. PMN, PPN, and R4N2 all use the same dry deposition velocity (Vd) as PAN. In GEOS-Chem v11-01, we now compute Vd(PMN), Vd(PPN), and Vd(R4N2) explicitly. We therefore have to assign to PMN, PPN, and R4N2 the same F0, Hstar_old, and MW_g values that PAN uses in order for the computations to be done correctly.

--Bob Yantosca (talk) 20:55, 19 May 2016 (UTC)

Discrepancies found in the dry deposition module

This update was validated with 1-month benchmark v11-01e (approved 04 Jan 2016).
Some of these issues had already been corrected in v11-01d (approved 12 Dec 2015).

During the implementation of the species database of physical properties into GEOS-Chem, we discovered several issues with how species were defined in the dry deposition module drydep_mod.F.

Species Issue Solution Status
ACET
  • Previously, drydep_mod.F used XMW = 0.058 kg/mol for the MW of ACET.
  • But the MW of ACET as defined in the GEOS-Chem species database = 58.08 g/mol = 0.05808 kg/mol.
  • Obtain the MW of ACET (= 58.08 g/mol = 0.05808 kg/mol) from the GEOS-Chem species database.
  • Assign this value to XMW in drydep_mod.F.
ALD2
  • Previously, drydep_mod.F used XMW = 0.044 kg/mol for the MW of ALD2.
  • But the MW of ALD2 as defined in the GEOS-Chem species database = 44.05 g/mol = 0.04405 kg/mol.
  • Obtain the MW of ALD2 (= 44.05 g/mol = 0.04405 kg/mol) from the GEOS-Chem species database.
  • Assign this value to XMW in drydep_mod.F.
MTPO
  • Previously, drydep_mod.F used XMW = 0.136 kg/mol for the MW of MTPO.
  • But the actual MW of MTPO as defined in the GEOS-Chem species database = 136.23 g/mol = 0.13623 kg/mol.
NITs
  • The dry deposition species name (i.e. stored in the DEPNAME array of drydep_mod.F was NITS (all caps).
  • But the given species name used throughout GEOS-Chem is NITs (lowercase "s").
  • Assign the name NITS to the DEPNAME array.
NITs
  • Previously, drydep_mod.F used XMW = 0.036 kg/mol for the MW of NITs.
    • This corresponded to the molecular weight of coarse sea-salt aerosol (SALC).
    • NOTE: Because NITs is internally mixed, it is appropriate to give NITs the MW of SALC.
  • But the MW of SALC was changed to 0.0314 kg/mol in GEOS-Chem v9-02.
POPG
POPPOCPI
POPPOCPO
POPPBCPI
POPPBCPO
  • The molecular weights as listed in the TRACER MENU section of input.geos often do not match the POP_MW setting in the POPS MENU.
  • For example:
    • PHE: MW = 178.23 but POP_MW = 178
    • PYR: MW = 202.25 but POP_MW = 202
    • BaP: MW = 252.31 but POP_MW = 252
  • Edit the input.geos files (i.e. in the GEOS-Chem Unit Tester) to ensure that the POP_MW value is the same as the molecular weight listed in the TRACER MENU section..
POPG
  • In routine INIT_DRYDEP, KOA is multiplied by 0.0409 but this may lead to a loss of precision.
  • Multiply KOA by 0.0409d0 to enforce REAL*8 precision.
  • In v11-01d and higher versions, this is now done in module Headers/species_database_mod.F90.
SALA
SALC
  • SALA and SALC have historically used MW's of 36 g/mol.
    • These values appear to have been used since at least v7-02-03 (Feb 2005).
  • In GEOS-Chem v9-02 (03 Mar 2015), the MW's of SALA and SALC were changed from 36 g/mol to 31.4 g/mol.
  • However, the new MW's of SALA and SALC were only added to the input.geos files, but not to the XMW variable of drydep_mod.F.
    • Therefore, since GEOS-Chem v9-02, dry deposition of SALA and SALC has been computed using the incorrect molecular weights.
  • Obtain the MW's of SALA and SALC (= 31.4 kg/mol = 0.0314 kg/mol) from the species database object.
  • Assign these values to XMW in drydep_mod.F.
SO4s
  • The dry deposition species name (i.e. stored in the DEPNAME array of drydep_mod.F was SO4S.
  • But the given species name used throughout GEOS-Chem is SO4s (lowercase "s").
  • Assign the name SO4S to the DEPNAME array.
SO4s
  • Previously, drydep_mod.F used XMW = 0.036 kg/mol for the MW of SO4s.
    • This corresponded to the molecular weight of coarse sea-salt aerosol (SALC).
    • NOTE: Because SO4s is internally mixed, it is appropriate to give SO4s the MW of SALC.
  • But the MW of SALC was changed to 0.0314 kg/mol in GEOS-Chem v9-02.


NOTE: ALK4 had been included in this table, but it is not a dry-deposited species. We have therefore removed ALK4 from the above table. Thanks to Prasad Kasibhatla for pointing out the error.

--Bob Yantosca (talk) 17:13, 22 February 2016 (UTC)

Wet deposition

The table below shows the various wet deposition parameters for both gas-phase and aerosol species. The quantities in each column correspond to fields of the Species derived type, as described on our GEOS-Chem species database wiki page.

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
ACET 58.08 12 3 - - - - - - - - - -
ALD2 44.05 12 2 - - - - - - - - - -
ALK4 58.12 12 4 - - - - - - - - - -
ASOAN
ASOA1
ASOA2
ASOA3 		150 150 - NO 0.8 1.0 0.5 1.0 0.8 0.0 0.8 - -
ASOG1
ASOG2
ASOG3 		150 150 - - - - - - - - - 2.0e-2 -
Be7 201 201 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
Br2 160 160 - - - - - - - - - 0.0 -
BCPI 12.01 12 1 NO 1.0 1.0 1.0 0.5 1.0 0.0 1.0 - -
BCPO 12.01 12 1 NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
CH2O 30 30 - - - - - - - - - 2.0e-2 Jacob et al [2000]
DST1
DSTAL1
NITD1
SO4D1 		29 29 - NO 1.0 1.0 1.0 1.0 1.0 1.0 1.0 - -
DST2
DSTAL2
NITD2
SO4D2 		29 29 - YES 1.0 1.0 1.0 1.0 1.0 1.0 1.0 - -
DST3
DSTAL3
NITD3
SO4D3 		29 29 - YES 1.0 1.0 1.0 1.0 1.0 1.0 1.0 - -
DST4
DSTAL4
NITD4
SO4D4 		29 29 - YES 1.0 1.0 1.0 1.0 1.0 1.0 1.0 - -
GLYC 60 60 - - - - - - - - - 2.0e-2 -
GLYX 58 58 - - - - - - - - - - -
H2O2 34 34 - - - - - - - - - 5.00e-2 Jacob et al [2000]
HAC 74 74 - - - - - - - - - - -
HBr 81 81 - - - - - - - - - 1.0 -
HCl 36 36 - - - - - - - - - 1.0 -
Hg2 201 201 - - - - - - - - - 0.0 -
HgP 201 201 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
HNO3 63 63 - - - - - - - - - - -
HOBr 97 97 - - - - - - - - - 0.0 -
IEPOX 118 118 - - - - - - - - - 2.0e-2 -
ISOA1
ISOA2
ISOA3 		150 150 - NO 0.8 1.0 0.5 1.0 0.8 0.0 0.8 - -
ISOG1
ISOG2
ISOG3 		150 150 - - - - - - - - - 2.0e-2 -
ISOPN 147 147 - - - - - - - - - 2.0e-2 -
LIMO
MTPA
MTPO 		136.23 136.23 - - - - - - - - - 2.0e-2 -
MAP 76 76 - - - - - - - - - 2.0e-2 -
MMN 149 149 - - - - - - - - - 2.0e-2 -
MOBA 114 114 - - - - - - - - - 2.0e-2 -
MOPI 12.01 12 1 NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
MOPO 12.01 12 1 NO 0.0 1.0 1.0 1.0 0.0 0.0 0.0 - -
MSA 96 96 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
NH3 17 17 - - - - - - - - - 5.0e-2 Jacob et al [2000]?
NH4 18 18 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
NIT 62 62 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
NITs 31.4 31.4 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCPI
POA1 		12.01 12 1 NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCPO
POA2 		12.01 12 1 NO 1.0 0.5 0.5 0.5 1.0 0.0 1.0 - -
OPOA1
OPOA2 		12.01 12 1 NO 0.8 1.0 0.5 1.0 0.8 0.0 0.8 - -
OPOG1
OPOG2 		12.01 12 1 - - - - - - - - 2.0e-2 -
Pb210 210 210 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
POG1
POG2 		12.01 12 1 - - - - - - - - 2.0e-2 -
POPPBCPI
(PHE) 		178.23 178.23 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPPBCPI
(PYR) 		202.25 202.25 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPPBCPI
(BaP) 		252.31 252.31 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
POPPBCPO
(PHE) 		178.23 178.23 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPPBCPO
(PYR) 		202.25 202.25 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPPBCPO
(BaP) 		252.31 252.31 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPPOCPI
(PHE) 		178.23 178.23 - NO 1.0 1.0 0.5 1.0 1.0 1.0 1.0 - -
POPPOCPI
(PHE) 		202.25 202.25 - NO 1.0 1.0 0.5 1.0 1.0 1.0 1.0 - -
POPPOCPI (PHE) 252.31 252.31 - NO 1.0 1.0 0.5 1.0 1.0 1.0 1.0 - -
POPOCPO
(PHE) 		178.23 178.23 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPOCPO
(PYR) 		202.25 202.25 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPOCPO
(BaP) 		252.31 252.31 - NO 1.0 1.0 1.0 0.5 1.0 1.0 0.0 - -
POPG (PHE) 178 178 - - - - - - - - - 0.0 -
POPG (PYR) 202 178 - - - - - - - - - 0.0 -
POPG (BaP) 252 178 - - - - - - - - - 0.0 -
PROPNN 119 119 - - - - - - - - - 2.0e-2 -
RIP 118 118 - - - - - - - - - 2.0e-2 -
SALA 31.4 31.4 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SALC 31.4 31.4 - YES 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SO2 64 64 - - - - - - - - - - -
SO4 96 96 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SO4s 31.4 31.4 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
TSOA0
TSOA1
TSOA2
TSOA3 		150 150 - NO 0.8 1.0 0.5 1.0 0.8 0.0 0.8 - -
TSOG0
TSOG1
TSOG2
TSOG3 		150 150 - - - - - - - - - 2.0e-2 -
TOMAS microphysics species Aerosol Species Parameters Gas-phase Species Parameters
DUST1-
DUST40 		100 100 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
ECIL1-
ECIL40 		96 96 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
NK1-NK40 1 1 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
OCIL1-
OCIL40 		12 12 1 NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SF1-
SF40 		96 96 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -
SS1-
SS40 		58.5 58.5 - NO 1.0 1.0 0.5 1.0 1.0 0.0 1.0 - -

NOTES:

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

--Bob Y. (talk) 20:34, 23 October 2015 (UTC)

Discrepancies found in the wet deposition module

During the implementation of the species database of physical properties into GEOS-Chem, we discovered a few issues with how species were defined in the wet deposition module wetscav_mod.F. Some of these errors are typos, others (we think) are historical baggage.

Species Issue Solution Status
MOBA
  • Routines COMPUTE_F and RAINOUT use the Henry's law parameter K0 = 2.3e+4.
  • But routine WASHOUT uses the Henry's law parameter K0 = 2.6e+4.
  • This appears to be a typo.
  • Use the value K0 = 2.3e+4 for MOBA everywhere in GEOS-Chem.

--Bob Yantosca (talk) 17:12, 22 February 2016 (UTC)

POPs parameters

The persistent organic pollutants (POPs) species have special parameters:

Species Mol. Wt.
[g mol-1] 		KOA KBC POPG_OH POPG_O3A POPG_O3B HSTAR DEL_H DEL_Hw
POPG (PHE) 178.23 4.37e+07 1.0e+10 2.7e-11 0.0 2.15e+15 1.74e-03 -7400 47
POPG (PYR) 202.25 7.24e+08 1.0e+11 50.0e-12 0.0 3.0e+15 5.37e-04 -8700 43
POPG (BaP) 252.31 3.02e+11 7.94e+13 50.0e-12 0.0 2.8e+15 3.10e-05 -11000 43

Previous issues that are now resolved

Fix Henry's law parameters for HCl

This update was included in v11-02f (approved 17 May 2018).

Xuan Wang wrote:

Heff at pH=7 is set to 2e6 for HCl, much lower than it should be. H at pH=4.5 cannot be higher than at pH=7. Yang et al. (2005) is a Br paper without HCl Henry number shown. I suggest to change the HCl values to Hstar=2.05e13 and K0=7e10, which are calculated from Sander 2015.
Also in calc_heff in henry_mod.F (around bottom), we have 
     IF ( thispKa > 0d0 ) THEN
        HEFF = KH * ( 1d0 + 10d0**( pH - thispKa ) )
It looks more reasonable to change to :
     IF ( pH >= 0d0 ) THEN
Since pKa can be negative. Anyway, it may not matter much in the simulation, we could do it in the future.

NOTE: The fix in henry_mod.F resulted in "Infinity in DO_CLOUD_CONVECTION" errors, so we will not include this suggested fix for now.

--Bob Yantosca (talk) 15:59, 17 May 2018 (UTC)

References

  1. Berdnikov, V. M. and Bazhin, N. M.: Oxidation-reduction potentials of certain inorganic radicals in aqueous solutions, Russ. J. Phys. Chem., (Engl. Transl.), 44, 395–398, 1970.
  2. Betterton, E. A. and Hoffmann, M. R.: Henry’s law constants of some environmentally important aldehydes, Environ. Sci. Technol., 22, 1415–1418, 1988.
  3. Chameides, W. L.: Reply, J. Geophys. Res., 91D, 14571–14572, 1986.
  4. Dean, J. A.: Lange’s Handbook of Chemistry, McGraw-Hill, Inc., 1992.
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--Bob Y. (talk) 16:13, 18 August 2015 (UTC)


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