Organics Working Group
All users interested in the GEOS-Chem organic simulations (e.g. isoprene, etc) are encouraged to subscribe to the organics email list (click on the link in the contact information section below).
Contents
Contact information
| Organics Working Group Co-Chairs | |
|---|---|
| Organics Working Group email list | geos-chem-organics [at] g.harvard.edu |
| To subscribe to email list | Either
Or
|
| To unsubscribe from email list | Either
Or
|
--Bob Y. (talk) 18:25, 21 August 2015 (UTC)
Current Organics Projects (please add yours!)
| Simulation | User Group | Description | Contact Person | Date Added |
|---|---|---|---|---|
| Projects using offline simulations | ||||
| COS | U. East Anglia | Atmospheric budget of COS | Parvadha Suntharalingam | 09 Jun 2009
|
| Acetone | Peking U. | Global atmospheric acetone budget and impact of air-sea exchange | May Fu | 3 May 2011 |
| Projects using full-chemistry simulations | ||||
| full chemistry | MIT/Dalhousie | Developement of land use change module, including expanded description of BVOC emissions | Jeff Geddes and Colette Heald | 24 Apr 2015 |
| full chemistry | MIT | Investigating the reactive carbon budget in GEOS-Chem | Sarah Safieddine | 24 Apr 2015 |
| full chemistry | U. Minnesota | Global budget of aromatic compounds | Dylan Millet | 23 Apr 2015 |
| full chemistry | U. Minnesota | Space-based constraints on sources of organic acids from fires | Sree Chaliyakunnel, Dylan Millet | 23 Apr 2015 |
| full chemistry | U. Minnesota | VOC emissions over India | Sree Chaliyakunnel, Dylan Millet | 23 Apr 2015 |
| full chemistry | U. Minnesota | OVOC sources and sinks & ensemble properties | Xin Chen, Dylan Millet | 23 Apr 2015 |
| full chemistry | Colorado State University | Implementation of the latest version of NEI 2011 (NEI11 v6.3ek) | Zitely Tzompa | 24 Apr 2017 |
| full chemistry | Colorado State University | Global atmospheric acetone budgets under updated photolysis schemes | Jared Brewer | 24 Apr 2015
|
| full chemistry | Harvard | PAN sources and sinks | Emily Fischer | 18 June 2013 |
| full chemistry | Harvard | Long-term satellite HCHO trends | Eloise Marais | 27 April 2014 |
| full chemistry | Univ. of York | Comparisons between ACE-FTS measurements and GEOS-Chem | Gonzalo Gonzalez Abad | 12 May 2012 |
| full chemistry | Harvard | Constraining isoprene emissions over Africa using OMI HCHO satellite observations | Eloïse Marais | 25 Oct 2010 |
| full chemistry | Harvard | Implementing CO2 inhibition of isoprene emissions in MEGAN | Amos Tai | 05 Jun 2012 |
| full chemistry | Harvard | Variability of HCHO Over the Southeastern United States Observed from Space | Lei Zhu | 07 May 2013 |
| Modified full chem (dicarbonyl) | Peking University | Dicarbonyls and SOA | May Fu | 26 Jun 2009 |
| Peking University | OMI HCHO and Asian air quality | May Fu | 26 Jun 2009 | |
| Modified full chem (dicarbonyl) | Columbia University | Dicarbonyls and Multiphase SOA | Faye McNeill | 24 Apr 2015 |
| Tagged CO and full chemistry |
Duke | CO sources from biomass burning (cross-listed under Carbon Cycle WG) | Prasad Kasibhatla | 15 Jun 2009 |
| U. Edinburgh | Biomass burning studies using satellite data | Siegfried Gonzi | 10 Jun 2009 | |
| U. Edinburgh | Quantifying the impact of boreal forest fires on tropospheric oxidants over the Atlantic | Mark Parrington | 10 Jun 2009 | |
| Tagged CO | U. Edinburgh | Quantifying the impact of boreal forest fires on tropospheric oxidants over the Atlantic | Douglas Finch | 01 Oct 2012 |
| U. Leicester | Biogenic VOC emissions from tropical ecosystems | Michael Barkley | 12 May 2011 |
--Dbm 16:12, 18 June 2013 (EDT)
Recently Completed Projects (please add yours!)
| Simulation | User Group | Description | Contact Person | Publication |
|---|---|---|---|---|
| full chemistry | Colorado State University | Global ethane emission inventory | Zitely Tzompa | J. Geophys. Res. Atmos., 122, doi:10.1002/2016JD025767, 2017. PDF
|
| full chemistry | U. Wollongong | Organic nitrate chemistry and its implications for nitrogen budgets in an isoprene- and monoterpene-rich atmosphere: constraints from aircraft (SEAC4RS) and ground-based (SOAS) observations in the Southeast US | Jenny Fisher | Atmos. Chem. Phys., 16, 5969-5991, 2016. PDF
|
| full chemistry | U. Wollongong | Multi-model simulation of CO and HCHO in the Southern Hemisphere: comparison with observations and impact of biogenic emissions | Jenny Fisher | Atmos. Chem. Phys., 15, 7217-7245, 2015. PDF
|
| full chemistry | U. Wollongong | Seasonal changes in the tropospheric carbon monoxide profile over the remote Southern Hemisphere evaluated using multi-model simulations and aircraft observations | Jenny Fisher | Atmos. Chem. Phys., 15, 3215-3239, 2015. PDF
|
| full chemistry | U. Minnesota | A large and ubiquitous source of atmospheric formic acid | Dylan Millet | Atmos. Chem. Phys., submitted, 2015. PDF
|
| full chemistry | U. Minnesota | Isoprene emissions and impacts over an ecological transition region in the US Upper Midwest inferred from tall tower measurements | Lu Hu, Dylan Millet | J. Geophys. Res., 120, 3553-3571, doi:10.1002/2014JD022732, 2015. PDF |
| full chemistry | U. Minnesota | Emissions of C6-C8 aromatic compounds in the United States: Constraints from tall tower and aircraft measurements | Lu Hu, Dylan Millet | J. Geophys. Res., 120, 826-842, doi:10.1002/2014JD022627, 2015. PDF |
| full chemistry | Colorado State U. | Atmospheric peroxyacetyl nitrate (PAN): A global budget and source attribution | Emily Fischer | Atmos. Chem. Phys., 14, 2679-2698, 2014. PDF
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| offline | U. Minnesota | Quantifying global terrestrial methanol emissions using observations from the TES satellite sensor | Kelley Wells, Dylan Millet | Atmos. Chem. Phys., 14, 2555-2570, 2014. PDF
|
| full chemistry | U. Minnesota | North American acetone sources determined from tall tower measurements and inverse modeling | Lu Hu, Dylan Millet | Atmos. Chem. Phys., 13, 3379-3392, 2013. PDF |
| full chemistry | U. Minnesota | Constraints on carbon monoxide emissions based on tall tower measurements in the US Upper Midwest | Dylan Millet | Environ. Sci. Technol., 47, 8316-8324, 2013. PDF
|
| full chemistry | U. Minnesota | Natural and anthropogenic ethanol sources in North America | Dylan Millet | Environ. Sci. Technol., 46, 8484-8492, 2012. PDF |
| offline | U. Minnesota | Seasonal cycle of temperate methanol emissions based on satellite data | Kelley Wells, Dylan Millet | Atmos. Chem. Phys., 12, 5897-5912, 2012. PDF |
| offline | U. Minnesota | Sources and seasonality of atmospheric methanol based on tall tower measurements in the US Upper Midwest | Lu Hu, Dylan Millet | Atmos. Chem. Phys., 11, 11145-11156, 2011. [1]
|
| full chemistry | Caltech | Monoterpenes and sesquiterpenes and SOA (Sesquiterpene emission update in pipeline for GEOS-Chem standard version) | Havala Pye | Atmos. Chem. Phys., 10, 11261–11276, 2010. PDF |
| full chemistry | Harvard University | The role of the ocean in the global atmospheric budget of acetone | Emily Fischer | GRL., VOL. 39, L01807, doi:10.1029/2011GL050086, 2012 [2] |
--Dbm 14:05, 12 May 2011 (EDT)
Development Priorities
| Priority | Description | Status |
|---|---|---|
| Dicarbonyls simulation | Merge May Fu's dicarbonyl simulation with Caltech isoprene chemistry (which is now standard) | Implement this once flexible chemistry scheme is in place. |
| 3D VOC source for tagged CO simulation and enhanced tagging of secondary CO | Secondary CO source in tagged CO simulation is 2D and inconsistent with full chemistry treatment | Under development (J. Fisher, Univ. of Wollongong) |
| HCN simulation | Currently out of date. Update based on Li et al. (ACP, 9, 8531–8543, 2009). | Under development (D. Jones, Univ. of Toronto) |
| Updated LAI | We are currently using a MODIS LAI product that has only been generated through 2008. Need to find or create suitable replacement. | Under development (K. Bowman, JPL; F. Boersma, KNMI) |
| PAN / organics updates | This simulation includes improved treatment of many NMVOCs. There are also changes to how biomass burning emissions are incorporated into the model. The improved PAN simulation, which is based on v9.01.01, has been merged with v9.02h and should be ready to be implemented with v10 when requested by support team. | Ready to go in (E. Fischer, CSU) |
| Merge organics from specialized simulations into the mainline code | Pending FlexChem implementation (D. Millet, Univ. of Minnesota) | |
| VBS SOA option | Under development (Rokjin Park)
|
--Dbm 16:11, 18 June 2013 (EDT)
Recent updates
The following development items relevant to organics have recently been added to GEOS-Chem:
| Version | Released | Description | Contact |
|---|---|---|---|
| v11-01 | Jan 2017 | Updates to PAH code | Carey Friedman (MIT) |
| v11-01 | Jan 2017 | Criegee intermediates | Dylan Millet (Univ. of Minnesota) |
| v11-01 | Jan 2017 | CO2 direct effect on isoprene emissions | Amos Tai (CUHK) |
| v10-01 | Jun 2014, Jan 2015 | Updated ALD2, HAC and PAN photolysis | Jingqiu Mao |
| v10-01 | Jan 2015 | Updates to tagged CO | Jenny Fisher |
| v10-01 | Apr 2015 | FINN biomass burning | Jenny Fisher |
| v10-01 | Apr 2015 | GFED4 biomass burning | Prasad Kasibhatla |
| v10-01 | Apr 2015 | Described here. The update applies emission algorithm updates according to Guenther et al. (Geosci. Model Dev., 5, 1471–1492, 2012), enables computation of emissions for more compounds, uses CLM4 plant functional type distributions, facilitates computing emissions with different/dynamic land cover schemes, and streamlines the code. | Dylan Millet |
| v10-01 | Apr 2015 | MIX Asian emissions | Qiang Zhang |
| v10-01 | Apr 2015 | NEI 2011 emissions | Katie Travis |
| v10-01 | Apr 2015 | Updated EMEP emissions | Aaron van Donkelaar |
| v9-02 | Apr 2013 | Paulot isoprene scheme as standard | Fabien Paulot |
| v9-02 | Mar 2013 | MPN chemistry | Ellie Brown |
| v9-02 | Sep 2013 | SOA simulation with semi-volative POA | Havala Pye |
| v9-02 | Nov 2012 | POPs simulation | Noelle Selin |
| v9-01-02 | Sep 2012 | Fix air-sea exchange of acetone and update terrestrial biogenic emissions to MEGAN | Emily Fischer |
| v9-01-02 | Sep 2012 | Retire GEIA biogenic VOC emissions; MEGAN is now state of the science | Emily Fischer |
| v9-01-03 | Dec 2011 | Reactive uptake of VOCs based on Karl et al. (Science, 330, 816-819, 2010) | Jingqiu Mao |
| v9-01-02 | Nov 2011 | Fix for GEIA scaling factor over S. Africa. Prevent excessive emissions due to near-zero flux for baseline year. | Dylan Millet |
| v9-01-02 | Nov 2011 | RETRO anthropogenic VOC emissions now implemented. It will exist as the default, but GEIA anthropogenic emissions will still be included as an option for some time. | Dylan Millet |
--Dbm 16:12, 18 June 2013 (EDT)
GEIA anthropogenic scaling factors
This update was tested in the 1-month benchmark simulation v9-01-02h and approved on 12 Aug 2011.
A bug was discovered with the annual scale factors for anthropogenic emissions that get applied in anthroems.f (FLIQCO2), which take a ratio between the base year for the GEIA emissions (1985) and the simulation year. For southern Africa (Botswana region) 1985 scale value is abnormally low (<0.03), so that the (current year):1985 ratio ends up being very large (>500) and giving unrealistically high CO and hydrocarbon emissions.
In the scaling file (../GEOS_1x1/anth_scale_factors_200911/CO-AnnualScalar.geos.1x1), scale factors over Botswana increase by a factor of >100 between 1985 and 1990 (i.e. nearly tripling every year), and then more gradually and reasonably after that. As a fix I've created an updated version of the file CO-AnnualScalar.geos.1x1, which is here. The new file is the same as the old one except that the offending values over Botswana for 1985 have been replaced with their 1990 values. This brings things more in line with the surrounding countries.
Here is a visual summary of the scaling factors with the old file and the updated file.
It's possible there is a more accurate way to do this (e.g. scaling the 1990 values down by some amount to get back to 1985) but until someone looks at this specific region in detail (in which case one may not want to use GEIA anthropogenic emissions anyway) I think this is a good approach and should get rid of the problem.
Emily Fischer ran some comparisons before and after the fix. She writes:
- I have posted some comparison plots for you to look through. I did a one-month test run using the file that you sent me last week. The "before" run has my updates to the ocean acetone source/sink included. For the hydrocarbons, I have before and after plots for surface mixing ratios. Note the very different scales in some cases. Your fix certainly is an improvement. I have included standard difference plots for CO, PAN and acetone.
--Dbm 15:30, 23 May 2011 (EDT)
--Bob Y. 11:19, 15 August 2011 (EDT)
Dicarbonyls
The discussion about known issues in the dicarbonyls simulation has now been moved to our separate Dicarbonyls simulation wiki page.
--Bob Y. 11:50, 28 April 2011 (EDT)
MEGAN
- A description of MEGAN as implemented in GEOS-Chem up to v8-02-03 is posted HERE.
- The discussion about the implementation of MEGAN 2.1 into GEOS-Chem v8-02-04 has been moved to a separate MEGAN biogenic emissions wiki page.
- An update to the latest MEGAN 2.1 as described in Guenther et al. (2012) is now available and discussed here.
--Dbm 16:18, 18 June 2013 (EDT)
Criegee intermediates
This update was validated with 1-month benchmark simulation v11-01d and 1-year benchmark simulation v11-01d-Run1. This version was approved on 12 Dec 2015.
Explicit treatment of Criegee intermediates generated from alkene ozonolysis, and of their subsequent reactions with H2O, SO2, and other species, as described by Millet et al. (2015).
Eloïse Marais has streamlined Dylan Millet's mechanism to reduce species and speed up computation. This involved removing explicit treatment of some reactive intermediates. This streamlined version is currently undergoing validation.
--Melissa Sulprizio (talk) 18:15, 17 June 2015 (UTC)
Add missing Criegee intermediate reaction
This fix was included in GEOS-Chem 12.0.0.
Xin Chen (UMN) reported one Criegee intermediate reaction is missing in the GEOS-Chem chemical mechanisms.
CH2OO + CO = CH2O : GCARR(1.20E-15, 0.0E+00, 0.0); {2015/09/25; Millet2015; DBM,EAM}
This reaction has been missing since the original Criegee intermediates implementation in GEOS-Chem v11-01.
--Melissa Sulprizio (talk) 14:37, 17 July 2018 (UTC)
