Chemistry Working Group

All users interested in the GEOS-Chem chemistry scheme and associated processes (photolysis, heterogeneous, deposition) are encouraged to subscribe to the chemistry email list (click on the link in the contact information section below).

Contact information

Oxidants and Chemistry Working Group Co-Chairs	Barron Henderson (GitHub: @barronh) Lu Hu (GitHub: @luhu0)
Oxidants and Chemistry Working Group email list	geos-chem-oxidants [at] g.harvard.edu
To subscribe to email list	Either Send an email to geos-chem-oxidants+subscribe [at] g.harvard.edu Or Go to the GEOS-Chem Oxidants and Chemistry Click on Subscribe to this group
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--Bob Y. (talk) 18:29, 21 August 2015 (UTC)

Current GEOS-Chem Chemistry Projects (please add yours!)

User Group	Description	Contact Person	Date Added
NASA LARC	Scheme for higher PN production from aromatics, MEK, monoterpenes, glycolaldehyde, and 1,3-butadiene	Katherine R. Travis	19 Sep 2023
Columbia University	Automated model reduction isoprene oxidation mechanism	Benjamin Yang Dan Westervelt	12 Sep 2023
NOAA CSL	JPL Kinetic Review Update/C-N balance/stoichiometry update	Kelvin Bates	01 Jul 2023
University of York	Nitrate Photolysis	Mat Evans Matthew Rowlinson	08 Jun 2022
University of York	Halogen reverse reactions	Mat Evans Hansen Cao	01 Jun 2022
University of York	Chlorine chemistry	Mat Evans Amy Lees	01 Oct 2022
Harvard University and MPIC-Mainz	Further development of The Kinetic PreProcessor (KPP)	Bob Yantosca (GCST)	03 Jun 2022
Harvard University	Adding an adaptive solver capability into KPP	Haipeng Lin	03 Jun 2022
GCST	Migrating the Hg chemistry mechanism to KPP	Bob Yantosca (GCST)	03 Jun 2022
GCST	Adding a CO-CO2-CH4-OCS chemistry mechanism with KPP	Bob Yantosca (GCST)	03 Jun 2022
U Montana	Furans chemistry in MCM and in GEOS-Chem	Lixu Jin Lu Hu	21 May 2022
U Wollongong	Evaluation of aromatic oxidation products using new observational constraints	Stephen MacFarlane Jenny Fisher	9 June 2022
U Wollongong, U Sydney, UNSW	Impacts of photophysical oxidation of aldehydes	Paolo Sebastianelli Jenny Fisher	10 June 2024
UNSW, U Wollongong	GEOS-Chem simulation of HFO and CF3CHO chemistry	Beth Killen Jenny Fisher	10 June 2024
University of California, Riverside	Updates to DMS oxidation scheme	William Porter	26 August 2020
Harvard University	Overhaul of cloud pH code including: use of Newton's method and addition of crustal cations and organic acids	Viral Shah Jonathan Moch	5 May 2019
U Alaska Fairbanks	Monoterpene oxidation and its impact on SOA formation	Yiqi Zheng Jingqiu Mao	21 April 2019
MIT	Simulating the global reactive carbon budget	Sarah Safieddine	12 April 2017
FSU	Stratosphere-troposphere coupling, improvements to UCX & H2 chemistry	Chris Holmes	May 2017
FSU	Methane and methyl chloroform lifetimes	Chris Holmes	May 2017
FSU	Arctic halogen & ozone chemistry	Chris Holmes	May 2017

Current GEOS-Chem Chemistry Issues (please add yours!)

Carbon balance

Script for evaluating carbon balance

Barron Henderson wrote:

[I created] an evaluation script to preserve balances going forward as the mechanism evolves (e.g., as isoprene gets updated).

Currently, this done using an off-line script described in a linked note. The approach is pretty straight-forward, but could be expanded to check conservation of functional groups as suggested by Mat.

Longer term, the same technique would ideally be built-in to the standard KPP as an optional report. I discussed it with Michael Long and we both think that KPP has most of the capability for atom conservation (if not all). It may simply be a matter of defining the chemical formulas in the *.spc file.