GEOS-Chem 14.5.0: Difference between revisions

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!width="100px"|Formula
!width="100px"|Formula
!width="200px"|Fullname
!width="200px"|Fullname
!width="30px"|Added
!width="30px"|Removed
!width="30px"|Advected
!width="30px"|Advected
!width="30px"|Dry deposited
!width="30px"|Gas
!width="30px"|Gas
!width="30px"|Dry deposited
!width="30px"|Photolyzed
!width="30px"|Wet deposited
!width="30px"|Wet deposited
!width="30px"|Photolyzed


|-valign="top"
|-valign="top"
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|C3H3O3
|C3H3O3
|Peroxyacetyl radical for APAN
|Peroxyacetyl radical for APAN
|X
|
|
|
|X
|X
Line 240: Line 236:
|C3H3O
|C3H3O
|Acrolein
|Acrolein
|X
|X
|X
|X
|
|-valign="top"
|ACRO2
|C3H5O4
|Peroxy radical from ACR
|
|X
|
|
|
|-valign="top"
|ALK4N1
|C4H8NO5
|Peroxy radical from ALK4N2
|
|X
|
|
|
|-valign="top"
|ALK4N2
|RO2NO
|Lumped alkyl nitrate from ALK4
|X
|X
|X
|X
|X
|-valign="top"
|ALK4O2
|C4H9O2
|Peroxy radical from ALK4
|
|X
|
|
|
|-valign="top"
|ALK4P
|CH3CH2CH2CH2OOH
|Peroxide from ALK4O2
|X
|X
|X
|X
|X
|-valign="top"
|ALK7
|C7H16
|Lumped >= C6 Alkanes
|
|X
|
|
|
|-valign="top"
|APAN
|C3H3NO5
|Peroxyacryloyl nitrate
|X
|X
|X
|X
|X
|-valign="top"
|APINN
|C10H17NO4
|1st gen organic nitrate from APIN
|X
|X
|X
|X
|X
|-valign="top"
|APINO2
|C10H17O3
|Peroxy radical from APIN
|
|X
|
|
|
|-valign="top"
|APINP
|C10H18O3
|Hydroperoxide from APIN
|X
|X
|X
|
|X
|-valign="top"
|AROMCHO
|C5H6O4
|ACCOMECHO from MCM
|X
|X
|X
|
|X
|-valign="top"
|AROMCO3
|C5H5O6
|Lumped aromatic peroxyacetyl radical
|
|X
|
|
|
|-valign="top"
|AROMPN
|C5H5NO8
|Lumped PN from aromatics
|X
|X
|X
|X
|X
|-valign="top"
|BPINN
|C10H17NO4
|Saturated 1st gen BPIN organic nitrate
|X
|X
|X
|X
|X
|-valign="top"
BPINO
|C9H14O
|Ketone from BPIN
|X
|X
|X
|
|X
|-valign="top"
|BPINO2
|C10H17O3
|Peroxy radical from BPIN
|
|X
|
|
|
|-valign="top"
|BPINON
|C9H13NO4
|Saturated 2nd gen BPIN organic nitrate
|X
|X
|X
|X
|X
|-valign="top"
|BPINOO2
|C10H17O3
|2nd-gen peroxy radical from BPIN
|
|X
|
|
|
|-valign="top"
|BPINOOH
|C9H14O3
|2nd-gen peroxide from BPIN
|X
|X
|X
|
|X
|-valign="top"
|BPINP
|C10H18O3
|Peroxide from BPIN
|X
|X
|X
|
|X
|-valign="top"
|BUTN
|C4H7NO4
|C4H6 alkyl nitrate
|X
|X
|X
|X
|X
|-valign="top"
|BUTO2
|C4H7O3
|peroxy radical from C4H6
|
|X
|
|
|
|-valign="top"
|C4H6
|C4H6
|1,3-butadiene
|X
|X
|
|
|
|-valign="top"
|C96N
|C9H15NO
|Saturated 2nd gen monoterpene organic nitrate
|X
|X
|X
|X
|X
|-valign="top"
|C96O2
|C10H17O3
|2nd-gen peroxy radical from APIN
|
|X
|
|
|
|-valign="top"
|C96O2H
|C9H16O3
|Peroxide from APIN 2nd gen
|X
|X
|X
|X
|
|
|X
|X
|-valign="top"
|EBZ
|C8H10
|Ethylbenzene
|X
|X
|X
|X
|
|
|
|-valign="top"
|GCO3
|HOCH2CO3
|Peroxyacetyl radical for PHAN
|
|
|X
|X
|
|
|


|-valign="top"
|-valign="top"
|ACRO2
|HACTA
|HOCH2CO2H
|Hydroxyacetic/glycolic acid
|X
|X
|X
|
|X
 
|-valign="top"
|LIMAL
|C10H16O2
|Aldehyde from limonene
|X
|X
|X
|
|X
 
|-valign="top"
|LIMKB
|C10H16O3
|2nd gen ketone from limonene
|X
|X
|X
|
|X
 
|-valign="top"
|LIMKET
|C10H16O2
|Ketone from limonene
|X
|X
|X
|
|X
 
|-valign="top"
|LIMKO2
|C10H17O3
|2nd-gen peroxy radical from LIMO
|
|X
|
|
|
 
|-valign="top"
|LIMN
|C10H17NO4
|Saturated 1st gen limonene organic nitrate
|X
|X
|X
|X
|X
 
|-valign="top"
|LIMNB
|C10H15NO4
|Saturated 1st gen LIMO organic nitrate
|X
|X
|X
|X
|X
 
|-valign="top"
|LIMO2H
|C10H18O3
|Acid from LIMO
|X
|X
|X
|
|X
 
|-valign="top"
|LIMO3
|C10H17O3
|Acylperoxy radical from LIMO
|
|X
|
|
|
 
|-valign="top"
|LIMO3H
|C10H18O4
|Peracid from LIMO
|X
|X
|X
|
|X
 
|-valign="top"
|LIMPAN
|C10H17NO4
|PAN from LIMO
|X
|X
|X
|X
|X
 
|-valign="top"
|MEKCO3
|C3H5O4
|C3H5O4
|Peroxy radical from ACR
|
|
|X
|
|
|
 
|-valign="top"
|MEKPN
|C3H5NO6
|MEK peroxyacetyl nitrate
|X
|X
|X
|X
|X
 
|-valign="top"
|MYRCO
|C10H18O3
|Aldehyde or ketone from myrcene
|X
|X
|X
|
|X
 
|-valign="top"
|PHAN
|C2H3NO6
|Peroxyhydroxyacetic nitric anhydride
|X
|X
|X
|X
|X
 
|-valign="top"
|PIN
|C10H17NO4
|Saturated 1st gen monoterpene organic nitrate
|X
|X
|X
|X
|X
 
|-valign="top"
|PINAL
|C10H16O2
|Pinonaldehyde
|X
|X
|X
|
|X
 
|-valign="top"
|PINO3
|C10H17O3
|Acylperoxy radical from APIN
|
|
|X
|
|
 
|-valign="top"
|PINO3H
|C10H18O4
|Pinonic peracid
|X
|X
|X
|
|X
 
|-valign="top"
|PINONIC
|C10H18O3
|Pinonic acid
|X
|X
|X
|
|X
 
|-valign="top"
|PINPAN
|C10H17NO4
|PAN from pinonaldehyde
|X
|X
|X
|X
|X
 
|-valign="top"
|mystery
|
|
|
|
|
|X (new)
|
 
|-valign="top"
|R7N1
|C7H15NO5
|Peroxy radical from R7N2
|
|X
|
|
|
 
|-valign="top"
|R7N2
|RO2NO
|C7 Lumped alkyl nitrate
|X
|X
|X
|X
|X
 
|-valign="top"
|R7O2
|C7H15O2
|Peroxy radical from ALK7
|
|X
|
|
|
 
|-valign="top"
|R7P
|C7H16O2
|Peroxide from R7O2
|X
|X
|X
|X
|X
|X
|-valign="top"
|mystery
|
|
|
|
|X (new)
|X
|X (new)
|
|X
|-valign="top"
|RNO3
|RO2NO
|Lumped aromatic nitrate
|X
|X
|X
|X
|X
|-valign="top"
|STYR
|Styrene
|
|X
|X
|X
|
|
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|
|


|}
|-valign="top"
|TLFUO2
|C5H7O5
|
|
|X
|
|
|
 
|-valign="top"
|TLFUONE
|C5H6O2
|Aromatic furanones
|X
|X
|X
|
|X
 
|-valign="top"
|TMB
|C8H10
|Trimethylbenzenes
|
|X
|
|
|


|-valign="top"
|-valign="top"
nam|ACRO2
|ZRO2
for|C3H5O4
|C7H9O5
ful|Peroxy radical from ACR
|RO2 for making lumped aromatic nitrate
add|X
|
rem|
|X
adv|
|
gas|X
|
dry|
|
wet|
 
pho|
|}
non|X

Revision as of 18:14, 4 September 2024

Version overview

This version is currently in development

Model GitHub Release Page DOI
GEOS-Chem Classic 14.5.0 TBD TBD
GCHP 14.5.0 TBD TBD

Submodule updates this version

The following submodules were updated to new versions in this release.

Submodule version GitHub release page DOI
GEOS-Chem 14.5.0 TBD TBD
HEMCO 3.10.0 TBD TBD

What's new in this version

Updates that will affect full-chemistry benchmark simulations

Feature Contributor(s) Model scope Notes and references
Pass non-zero Ca2, Mg, and K cations to HETP Becky Alexander (UW)
Lizzie Lundgren (Harvard) 		Aerosols
Allow per-species definition of KPP absolute and relative solver tolerances; Set absolute tolerances of dummy species to large value Obin Sturm (USC)
Bob Yantosca (Harvard) 		Chemistry
Fix bugs in PDER, OCPISOA and TotalOC in complexSOA Yuanjian Zhang (WashU) Chemistry
Add fixes for ALK4 and R4N2 chemistry from Brewer et al. (2023, JGR) Jared Brewer (UMN) Chemistry
Chemistry for RCOOH, monoterpenes, new PNs and ANs from Travis et al. (2024) Jared Brewer (UMN) Chemistry
Adding PPN photolysis Bex Horner (UCL) Chemistry
Cloud-J v8.0 including UV H2O absorption Lizzie Lundgren (Harvard)
Michael Prather (UCI) 		Cloud-J submodule
Restore dry deposition output in GCHP & GCClassic fullchem benchmark simulations Bob Yantosca (Harvard) Diagnostics
Add emission factors for ALK6, C4H6, EBZ, STYR, TMB emissions in GFED and FINN biomass burning Kelvin Bates (Colorado) Emissions
Fix mass non-conservation in VDIFF PBL mixing Nick Balasus (Harvard) PBL mixing

Updates that will NOT affect full-chemistry benchmark simulations

Feature Contributor(s) Model scope Notes and references
Update GFED4_Climatology entries for period 2010-2023 with new species Bob Yantosca (Harvard) Emissions
Fix pressure handling in HEMCO standalone Bob Yantosca (Harvard) HEMCO standalone
Update run scripts and environment files for NASA discover cluster Lizzie Lundgren (Harvard) NASA Discover
Move aerosol optics files to CHEM_INPUTS/Aerosol_Optics/ directory tree Lizzie Lundgren (Harvard) Structural

New data directories

The following data directories have been added or updated in this version. You will have to download the directories relevant to your simulation.

Inventory Simulations What was added? Directory
Aerosol optics aerosol-only
fullchem 		Configuration files (brc.dat, dust.dat, h2so4.dat, org.dat, so4.dat, soot.dat, ssa.dat, ssc.dat containing optical properties were copied here. Used for computing AOD. ExtData/CHEM_INPUTS/Aerosol_Optics/2024-08/
GFED4 climatology fullchem Climatology and monthly-mean emissions for period 2010-2023, with species that were added in 14.5.0, namely:
  • GFED4_climatology_2010-2023_05x0625.nc
  • GFED4_monmean_05x0625_2010-2023.nc
 ExtData/HEMCO/GFED4/v2023-03/
Cloud-J inputs fullchem Copy of v2023-05 with H2O UV absorption cross-sections added, species PPN added, and aerosol dat-files used for computing AOD in GEOS-Chem removed. ExtData/CHEM_INPUTS/CLOUD_J/2024-09/

Species changes

NOTE: this section is under construction

The following species in the standard fullchem simulation have been added, removed, or changed in this version.

BPINO
Name Formula Fullname Advected Dry deposited Gas Photolyzed Wet deposited
ACO3 C3H3O3 Peroxyacetyl radical for APAN X
ACR C3H3O Acrolein X X X X
ACRO2 C3H5O4 Peroxy radical from ACR X
ALK4N1 C4H8NO5 Peroxy radical from ALK4N2 X
ALK4N2 RO2NO Lumped alkyl nitrate from ALK4 X X X X X
ALK4O2 C4H9O2 Peroxy radical from ALK4 X
ALK4P CH3CH2CH2CH2OOH Peroxide from ALK4O2 X X X X X
ALK7 C7H16 Lumped >= C6 Alkanes X
APAN C3H3NO5 Peroxyacryloyl nitrate X X X X X
APINN C10H17NO4 1st gen organic nitrate from APIN X X X X X
APINO2 C10H17O3 Peroxy radical from APIN X
APINP C10H18O3 Hydroperoxide from APIN X X X X
AROMCHO C5H6O4 ACCOMECHO from MCM X X X X
AROMCO3 C5H5O6 Lumped aromatic peroxyacetyl radical X
AROMPN C5H5NO8 Lumped PN from aromatics X X X X X
BPINN C10H17NO4 Saturated 1st gen BPIN organic nitrate X X X X X
C9H14O Ketone from BPIN X X X X
BPINO2 C10H17O3 Peroxy radical from BPIN X
BPINON C9H13NO4 Saturated 2nd gen BPIN organic nitrate X X X X X
BPINOO2 C10H17O3 2nd-gen peroxy radical from BPIN X
BPINOOH C9H14O3 2nd-gen peroxide from BPIN X X X X
BPINP C10H18O3 Peroxide from BPIN X X X X
BUTN C4H7NO4 C4H6 alkyl nitrate X X X X X
BUTO2 C4H7O3 peroxy radical from C4H6 X
C4H6 C4H6 1,3-butadiene X X
C96N C9H15NO Saturated 2nd gen monoterpene organic nitrate X X X X X
C96O2 C10H17O3 2nd-gen peroxy radical from APIN X
C96O2H C9H16O3 Peroxide from APIN 2nd gen X X X X
EBZ C8H10 Ethylbenzene X X
GCO3 HOCH2CO3 Peroxyacetyl radical for PHAN X
HACTA HOCH2CO2H Hydroxyacetic/glycolic acid X X X X
LIMAL C10H16O2 Aldehyde from limonene X X X X
LIMKB C10H16O3 2nd gen ketone from limonene X X X X
LIMKET C10H16O2 Ketone from limonene X X X X
LIMKO2 C10H17O3 2nd-gen peroxy radical from LIMO X
LIMN C10H17NO4 Saturated 1st gen limonene organic nitrate X X X X X
LIMNB C10H15NO4 Saturated 1st gen LIMO organic nitrate X X X X X
LIMO2H C10H18O3 Acid from LIMO X X X X
LIMO3 C10H17O3 Acylperoxy radical from LIMO X
LIMO3H C10H18O4 Peracid from LIMO X X X X
LIMPAN C10H17NO4 PAN from LIMO X X X X X
MEKCO3 C3H5O4 X
MEKPN C3H5NO6 MEK peroxyacetyl nitrate X X X X X
MYRCO C10H18O3 Aldehyde or ketone from myrcene X X X X
PHAN C2H3NO6 Peroxyhydroxyacetic nitric anhydride X X X X X
PIN C10H17NO4 Saturated 1st gen monoterpene organic nitrate X X X X X
PINAL C10H16O2 Pinonaldehyde X X X X
PINO3 C10H17O3 Acylperoxy radical from APIN X
PINO3H C10H18O4 Pinonic peracid X X X X
PINONIC C10H18O3 Pinonic acid X X X X
PINPAN C10H17NO4 PAN from pinonaldehyde X X X X X
mystery X (new)
R7N1 C7H15NO5 Peroxy radical from R7N2 X
R7N2 RO2NO C7 Lumped alkyl nitrate X X X X X
R7O2 C7H15O2 Peroxy radical from ALK7 X
R7P C7H16O2 Peroxide from R7O2 X X X X X
mystery X (new) X X (new) X
RNO3 RO2NO Lumped aromatic nitrate X X X X X
STYR Styrene X X
TLFUO2 C5H7O5 X
TLFUONE C5H6O2 Aromatic furanones X X X X
TMB C8H10 Trimethylbenzenes X
ZRO2 C7H9O5 RO2 for making lumped aromatic nitrate X
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