NSF Award Search: Award # 0917874

Award Abstract # 0917874

Thermodynamic Modeling of Atmospheric Organic Particulate Matter (OPM) in Salt-Containing, Potentially Multi-Phasic Particulate Matter (PM) Systems

NSF Org:	AGS Division of Atmospheric and Geospace Sciences
Recipient:	PORTLAND STATE UNIVERSITY
Initial Amendment Date:	March 10, 2009
Latest Amendment Date:	March 10, 2009
Award Number:	0917874
Award Instrument:	Continuing Grant
Program Manager:	Anne-Marie Schmoltner AGS Division of Atmospheric and Geospace Sciences GEO Directorate for Geosciences
Start Date:	October 1, 2008
End Date:	September 30, 2009 (Estimated)
Total Intended Award Amount:	$33,753.00
Total Awarded Amount to Date:	$33,753.00
Funds Obligated to Date:	FY 2007 = $33,753.00
History of Investigator:	James Pankow (Principal Investigator)
Recipient Sponsored Research Office:	Portland State University 1600 SW 4TH AVE PORTLAND OR US 97201-5508 (503)725-9900
Sponsor Congressional District:	01
Primary Place of Performance:	Portland State University 1600 SW 4TH AVE PORTLAND OR US 97201-5508
Primary Place of Performance Congressional District:	01
Unique Entity Identifier (UEI):	H4CAHK2RD945
Parent UEI:	WWUJS84WJ647
NSF Program(s):	Atmospheric Chemistry
Primary Program Source:	app-0107
Program Reference Code(s):	0000, OTHR
Program Element Code(s):	152400
Award Agency Code:	4900
Fund Agency Code:	4900
Assistance Listing Number(s):	47.050

ABSTRACT

This project involves the further development and evaluation of a unified modeling framework that simulates the thermodynamics of gas/particle partitioning of mixtures of inorganic and organic compounds in multiple phases. The project contains three major objectives - the development of a multi-phase equilibrium modeling framework by expanding an existing gas/particle partitioning approach for non-ionic species to a system with dissolved ions and developing a one-dimensional box model to simulate secondary aerosol formation for a mixed inorganic/organic salt/water system; the prediction of activity coefficients for such a mixed system; and the evaluation of such a modeling framework using available aerosol laboratory measurements and testing it in a one-dimensional box model that includes the emissions of volatile organic compounds, gas-phase chemistry and gas/particle partitioning. One female graduate student will be supported by this award.

PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH

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Chang, E.I. and Pankow, J.F. "Organic particulate matter formation at varying relative humidity using surrogate secondary and primary organic compounds with activity corrections in the condensed phase obtained using a method based on the Wilson equation" Atmos. Chem. & Physics Discussions , v.8 , 2008 , p.995

Elsa I. Chang and James F. Pankow* "Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water. 2. Consideration of phase separation effects by an X-UNIFAC model" Atmospheric Environment , v.40 , 2006 , p.6422 10.1016/j.atmosenv.2006.04.031

Garnet B. Erdakos, William E. Asher, John H. Seinfeld, and James F. Pankow* "Prediction of activity coefficients in liquid aerosol particles containing organic compounds, dissolved inorganic salts, and water. 1. Organic compounds and water by consideration of short- and long-range effects using X-UNIFAC.1" Atmospheric Environment , v.40 , 2006 , p.6410 10.1016/j.atmosenv.2006.04.030

James F. Pankow and William E. Asher "SIMPOL.1: A simple group contribution method for predicting vapor pressures and enthalpies of vaporization of multifunctional organic compounds" Atmospheric Chemistry and Physics , v.8 , 2008 , p.2773

Pankow JF "Organic particulate material levels in the atmosphere: Conditions favoring sensitivity to varying relative humidity and temperature" Proceedings of the National Academy of Sciences , v.107 , 2010 , p.6682 doi:10.1073/pnas.1001043107

Pankow J.F. and Barsanti K.C. "The carbon number-polarity grid: A means to manage the complexity of the mix of organic compounds when modeling atmospheric organic particulate matter" Atmos. Environ. , v.43 , 2008 , p.2829

Pankow, J.F. and Chang, E.I. "'Variation in the Sensitivity of Predicted Levels of Atmospheric Organic Particulate Matter (OPM)" Environ. Sci. Technol. , v.42 , 2008 , p.7321

William E. Asher* and James F. Pankow "Vapor pressure prediction for alkenoic and aromatic organic compounds by a UNIFAC-based group contribution method" Atmospheric Environment , v.40 , 2006 , p.3588 10.1016/j.atmosenv.2005.12.004

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