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).
Contents
Contact information
| Oxidants and Chemistry Working Group Co-Chairs |
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|---|---|
| Oxidants and Chemistry Working Group email list | geos-chem-oxidants [at] g.harvard.edu |
| To subscribe to email list | Either
Or
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| To unsubscribe from email list | Either
Or
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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
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| 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)
