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 |
|
|---|---|
| Oxidants and Chemistry Working Group email list | geos-chem-oxidants [at] g.harvard.edu |
| To subscribe to email list | Either
Or
|
| To unsubscribe from email list | Either
Or
|
--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 |
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 |
08 Jun 2022 |
| University of York | Halogen reverse reactions | Mat Evans |
01 Jun 2022 |
| University of York | Chlorine chemistry | Mat Evans |
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 | Formic acid and acetic acid formation in fire smoke | Wade Permar Lu Hu |
21 May 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 | 9 June 2022 |
| UNSW, Sydney | Contribution of the unexplored photochemistry of aldehydes to the tropospheric levels of hydrogen | Maria Paula Perez-Pena | 25 June 2021 |
| 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!)
Working group telecom on the 13/3/2019
There was a telecon to discuss issues with the chemistry. The notes from the meeting are here Media:Chemistry_WG_March_2019..pdf . Mat Evans
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.
--Melissa Sulprizio (talk) 21:06, 22 May 2017 (UTC)
JPL Released 18th Rate Coefficient Evaluation
This update was included in v11-02a and approved on 12 May 2017.
JPL has released its 18th evaluation of chemical rate coefficients for atmospheric studies (Burkholder et al., 2015)." A new page (Updates in JPL Publication 15-10) is being created to compare rates between GEOS-Chem v10 and JPL Publication 15-10.
- J. B. Burkholder, S. P. Sander, J. Abbatt, J. R. Barker, R. E. Huie, C. E. Kolb, M. J. Kurylo, V. L. Orkin, D. M. Wilmouth, and P. H. Wine "Chemical Kinetics and Photochemical Data for Use in Atmospheric Studies, Evaluation No. 18," JPL Publication 15-10, Jet Propulsion Laboratory, Pasadena, 2015 http://jpldataeval.jpl.nasa.gov.
---B. Henderson 2016-05-03 15:25 (EDT)
Working Group Tele-con on the 2nd December 2011
Isoprene chemistry
I've created a page with some of the recent literature on isoprene chemistry. Please add more papers as they come along! ( MJE Leeds)
HO2 + CH2O
Scheme does not contain the HO2 + CH2O --> Adduct reaction (MJE Leeds)
Hermans, I., et al. (2005), Kinetics of alpha-hydroxy-alkylperoxyl radicals in oxidation processes. HO2 center dot-initiated oxidation of ketones/aldehydes near the tropopause, Journal of Physical Chemistry A, 109(19), 4303-4311.
According to this paper, this reaction is significant when Temperature is below 220K.
--J Mao. 15:00, 10 Aug 2009 (EDT)
Previous issues that have now been resolved
Centralizing chemistry time step
This update was tested in the 1-month benchmark simulation v9-01-02q and approved on 18 Oct 2011.
Please see the full discussion on the Centralized chemistry time step wiki page.
--Bob Y. 16:01, 4 November 2011 (EDT)
Acetone photolysis
This discussion has been moved to our FAST-J photolysis mechanism wiki page.
--Bob Y. 15:20, 20 May 2014 (EDT)
Documentation
- Updated chemical reactions that will be used in GEOS-Chem v8-02-04 and higher.
- Updated chemical reactions now used in GEOS-Chem v8-02-01 through GEOS-Chem v8-02-03.
- All typos have now been corrected in the present file.
- Format of FAST-J input file jv_spec.dat
--Bob Y. 15:41, 27 October 2009 (EDT)