Chemistry Working Group: Difference between revisions
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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|contact information section]] below). | 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|contact information section]] below). | ||
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{| border=1 cellspacing=0 cellpadding=5 | {| border=1 cellspacing=0 cellpadding=5 | ||
|- | |-valign="top" | ||
| | !width="300px" bgcolor="#CCCCCC"|Oxidants and Chemistry Working Group Co-Chairs | ||
|[http://www. | |width="600px"| | ||
[http:// | *[http://www.barronh.com Barron Henderson] (GitHub: [https://github.com/barronh @barronh]) | ||
*[http://hs.umt.edu/luhu/people.php Lu Hu] (GitHub: [https://github.com/luhu0 @luhu0]) | |||
*[https://www.jessicahaskinsphd.com/ Jessica Haskins] (Github: [https://github.com/jhaskinsPhD jhaskinsPhD]) | |||
*[https://www.kelvinbates.com/ Kelvin Bates] (Github: [https://github.com/kelvinhb @kelvinb]) | |||
|-valign="top" | |||
!bgcolor="#CCCCCC"|Oxidants and Chemistry Working Group email list | |||
|<tt>geos-chem-oxidants [at] g.harvard.edu</tt> | |||
| | |||
| | |||
== | |-valign="top" | ||
!bgcolor="#CCCCCC"|To subscribe to email list | |||
|Either | |||
*Send an email to <tt>geos-chem-oxidants+subscribe [at] g.harvard.edu</tt> | |||
Or | |||
*Go to the [https://groups.google.com/a/g.harvard.edu/forum/#!forum/geos-chem-oxidants GEOS-Chem Oxidants and Chemistry] | |||
*Click on '''Subscribe to this group''' | |||
== | |-valign="top" | ||
!bgcolor="#CCCCCC"|To unsubscribe from email list | |||
|Either | |||
*Send an email to <tt>geos-chem-oxidants+unsubscribe [at] g.harvard.edu</tt> | |||
Or | |||
*Go to the [https://groups.google.com/a/g.harvard.edu/forum/#!forum/geos-chem-oxidants GEOS-Chem Oxidants and Chemistry] | |||
*Click on the '''My Settings''' button | |||
*Click on '''Leave this group''' | |||
|} | |||
--[[User:Bmy|Bob Y.]] ([[User talk:Bmy|talk]]) 18:29, 21 August 2015 (UTC) | |||
== Current GEOS-Chem Chemistry Projects (please add yours!) == | |||
{| border=1 cellspacing=0 cellpadding=5 | |||
|- bgcolor="#cccccc" | |||
!width="200px"|User Group | |||
!width="600px"|Description | |||
!width="150px"|Contact Person | |||
!width="100px"|Date Added | |||
= | |-valign="top" | ||
|NASA LARC | |||
|Scheme for higher PN production from aromatics, MEK, monoterpenes, glycolaldehyde, and 1,3-butadiene | |||
|[mailto:katherine.travis@nasa.gov Katherine R. Travis] | |||
|19 Sep 2023 | |||
|-valign="top" | |||
|Columbia University | |||
|Automated model reduction isoprene oxidation mechanism | |||
|[mailto:benjamin.yang@columbia.edu Benjamin Yang]<br> | |||
[mailto:danielmw@ldeo.columbia.edu Dan Westervelt] | |||
|12 Sep 2023 | |||
|-valign="top" | |||
|NOAA CSL | |||
|JPL Kinetic Review Update/C-N balance/stoichiometry update | |||
|[mailto:khbates@ucdavis.edu Kelvin Bates] | |||
|01 Jul 2023 | |||
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|University of York | |||
|Nitrate Photolysis | |||
|[mailto:mat.evans@york.ac.ul Mat Evans]<br> | |||
[mailto:matthew.rowlinson@york.ac.ul Matthew Rowlinson] | |||
|08 Jun 2022 | |||
|-valign="top" | |||
|University of York | |||
|Halogen reverse reactions | |||
|[mailto:mat.evans@york.ac.ul Mat Evans]<br> | |||
[mailto:hansen.cao@york.ac.ul Hansen Cao] | |||
|01 Jun 2022 | |||
|-valign="top" | |||
|University of York | |||
|Chlorine chemistry | |||
|[mailto:mat.evans@york.ac.ul Mat Evans]<br> | |||
[mailto:al1916@york.ac.uk Amy Lees] | |||
|01 Oct 2022 | |||
|-valign="top" | |||
|Harvard University and<br>MPIC-Mainz | |||
|Further development of [https://kpp.readthedocs.io The Kinetic PreProcessor (KPP)] | |||
|[mailto:yantosca@seas.harvard.edu Bob Yantosca] (GCST) | |||
|03 Jun 2022 | |||
|-valign="top" | |||
|Harvard University | |||
|Adding an adaptive solver capability into [https://kpp.readthedocs.io KPP] | |||
|[mailto:hplin@seas.harvard.edu Haipeng Lin] | |||
|03 Jun 2022 | |||
to: | |-valign="top" | ||
|GCST | |||
|Migrating the Hg chemistry mechanism to [https://kpp.readthedocs.io KPP] | |||
|[mailto:yantosca@seas.harvard.eduard.edu Bob Yantosca] (GCST) | |||
|03 Jun 2022 | |||
|-valign="top" | |||
|GCST | |||
|Adding a CO-CO2-CH4-OCS chemistry mechanism with [https://kpp.readthedocs.io KPP] | |||
|[mailto:yantosca@seas.harvard.eduard.edu Bob Yantosca] (GCST) | |||
|03 Jun 2022 | |||
|-valign="top" | |||
|U Montana | |||
|Furans chemistry in MCM and in GEOS-Chem | |||
|[mailto:lixu.jin@umontana.edu Lixu Jin]<br>[mailto:lu.hu@mso.umt.edu Lu Hu] | |||
|21 May 2022 | |||
|-valign="top" | |||
|U Wollongong | |||
|Evaluation of aromatic oxidation products using new observational constraints | |||
|[mailto:smm997@uowmail.edu.au Stephen MacFarlane]<br>[mailto:jennyf@uow.edu.au Jenny Fisher] | |||
|9 June 2022 | |||
|-valign="top" | |||
|U Wollongong, U Sydney, UNSW | |||
|Impacts of photophysical oxidation of aldehydes | |||
|[mailto:paolos@uow.edu.au Paolo Sebastianelli]<br>[mailto:jennyf@uow.edu.au Jenny Fisher] | |||
|10 June 2024 | |||
--[[ | |-valign="top" | ||
|UNSW, U Wollongong | |||
|GEOS-Chem simulation of HFO and CF3CHO chemistry | |||
|[mailto:b.killen@unsw.edu.au Beth Killen]<br>[mailto:jennyf@uow.edu.au Jenny Fisher] | |||
|10 June 2024 | |||
= | |-valign="top" | ||
|University of California, Riverside | |||
|Updates to DMS oxidation scheme | |||
|[mailto:wporter@ucr.edu William Porter] | |||
|26 August 2020 | |||
= | |-valign="top" | ||
|Harvard University | |||
|Overhaul of cloud pH code including: use of Newton's method and addition of crustal cations and organic acids | |||
|[mailto:vshah@g.harvard.edu Viral Shah]<br>[mailto:jmoch@g.harvard.edu Jonathan Moch] | |||
|5 May 2019 | |||
|-valign="top" | |||
|U Alaska Fairbanks | |||
|Monoterpene oxidation and its impact on SOA formation | |||
|[mailto:yzheng4@alaska.edu Yiqi Zheng]<br>[mailto:jmao2@alaska.edu Jingqiu Mao] | |||
|21 April 2019 | |||
|-valign="top" | |||
| FSU | |||
|Stratosphere-troposphere coupling, improvements to UCX & H2 chemistry | |||
|[mailto:cdholmes@fsu.edu Chris Holmes] | |||
|May 2017 | |||
- | |-valign="top" | ||
|FSU | |||
|Methane and methyl chloroform lifetimes | |||
|[mailto:cdholmes@fsu.edu Chris Holmes] | |||
|May 2017 | |||
= | |-valign="top" | ||
|FSU | |||
|Arctic halogen & ozone chemistry | |||
|[mailto:cdholmes@fsu.edu Chris Holmes] | |||
|May 2017 | |||
|} | |||
== Current GEOS-Chem Chemistry Issues (please add yours!) == | |||
=== Carbon balance === | |||
==== Script for evaluating carbon balance ==== | |||
'''''[http://www.barronh.com/ Barron Henderson] wrote:''''' | |||
<blockquote>[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 [http://www.evernote.com/l/ATuCIZsKADFPPKnKQBlk07TFevitHHQ1Q_o/ 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.</blockquote> |
Latest revision as of 14:47, 23 September 2024
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 | 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 |
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.