Chemistry Working Group
Oxidants and 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 Chair | Mat Evans |
| Oxidants and Chemistry Working Group email list | geos-chem-oxidants@seas.harvard.edu |
| To subscribe to email list | Send email to geos-chem-oxidants-join@seas.harvard.edu |
| To unsubscribe from email list | Send email to geos-chem-oxidants-leave@seas.harvard.edu |
Current GEOS-Chem Chemistry Projects (please add yours!)
| User Group | Description | Contact Person | Date Added |
|---|---|---|---|
| Caltech/Harvard | Examining the effects of isoprene nitrates and epoxide on tropical ozone and OH using SHADOZ and OMI measurements | Fabien Paulot Jingqiu Mao |
April 28, 2009 |
| Caltech/Harvard | Examining the HCHO yield, OH recycling and ozone production with INTEX-A observations from new isoprene chemistry | Jingqiu Mao Fabien Paulot |
April 28, 2009 |
| NIA / LaRC | Tropospheric ozone over East Asia: Ozonesonde observations and modeling analysis | Yiqiang Zhang Hongyu Liu |
June 29, 2010 |
| U. Wollongong | Tropospheric ozone precursors over Australasia: Using GEOS-Chem to interpret FTIR measurements of CO, NO2 and HCHO | Rebecca Buchholz | May 19, 2011 |
Current GEOS-Chem Chemistry Issues (please add yours!)
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)
rate of HNO4
Ellie Browne found a typo in the globchem.dat (v8-02-01 and beyond)
A 73 9.52E-05 3.2E+00 -10900 1 P 0.60 0. 0.
1.38E+15 1.4E+00 -10900 0 0.00 0. 0.
HNO4 + M
=1.000HO2 +1.000NO2 + +
This should be corrected as:
A 73 9.52E-05 3.4E+00 -10900 1 P 0.60 0. 0.
1.38E+15 1.1E+00 -10900 0 0.00 0. 0.
HNO4 + M
=1.000HO2 +1.000NO2 + +
The difference is within 2%.
--J Mao. 19:04, 30 Aug 2010 (EDT)
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
This update was added to GEOS-Chem v8-03-02 as a post-release patch, and standardized in GEOS-Chem v9-01-01.
yield of isoprene nitrates
Fabien Paulot found a problem in current chemistry scheme. In GEOS-Chem v8-02-01 and beyond, isoprene nitrates are produced twice: one through channel A and one through 10% loss in channel B. This makes the loss of NOx larger than it should be (18.7% vs. 10%) and also reduces the yield of MVK/MACR/CH2O by about 13%.
A 453 2.70E-12 0.0E+00 350 1 B 0.00 0. 0.
5.00E+00 0.0E+00 0 0 0.00 0. 0.
RIO2 + NO
=0.900NO2 +0.900HO2 +0.340IALD +0.340MVK
+0.220MACR +0.560CH2O + +
A 453 2.70E-12 0.0E+00 350 1 A 0.00 0. 0.
5.00E+00 0.0E+00 0 0 0.00 0. 0.
RIO2 + NO
=1.000HNO3 + + +
So it should be corrected as (no channel A):
A 453 2.70E-12 0.0E+00 350 0 0 0.00 0. 0.
RIO2 + NO
=0.900NO2 +0.900HO2 +0.340IALD +0.340MVK
+0.220MACR +0.560CH2O + +
D 453 2.70E-12 0.0E+00 350 1 A 0.00 0. 0.
5.00E+00 0.0E+00 0 0 0.00 0. 0.
RIO2 + NO
=1.000HNO3 + + +
--J Mao. 18:04, 30 Aug 2010 (EDT)
--Bob Y. 16:05, 4 November 2011 (EDT)
Potential issue with reading restart.cspec file
This update was tested in the 1-month benchmark simulation v9-01-02c and approved on 21 Jul 2011.
Jingqiu Mao discovered a mis-indexing problem when using the restart.cspec.YYYYMMDDhh file. Please see this wiki post for more information.
--Bob Y. 16:02, 4 November 2011 (EDT)
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)
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)
