Organics Working Group

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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).

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
  • Send an email to geos-chem-organicss+subscribe [at] g.harvard.edu

Or

To unsubscribe from email list Either
  • Send an email to geos-chem-organics+unsubscribe [at] g.harvard.edu

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


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

  1. A description of MEGAN as implemented in GEOS-Chem up to v8-02-03 is posted HERE.
  2. 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.
  3. 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)