Environ. Sci. Technol., 36 (10), 2154 -2163, 2002. 10.1021/es0112700 S0013-936X(01)01270-6
Web Release Date: April 20, 2002

Copyright © 2002 American Chemical Society

Evaluation of an Air Quality Model for the Size and Composition of Source-Oriented Particle Classes

Prakash V. Bhave, Michael J. Kleeman,* Jonathan O. Allen, and Lara S. Hughes

Department of Environmental Science and Engineering, California Institute of Technology, Pasadena, California 91125-7800

Kimberly A. Prather

Department of Chemistry and Biochemistry, University of California, San Diego, La Jolla, California 92093-0314

Glen R. Cass#

School of Earth and Atmospheric Sciences, Georgia Institute of Technology, Atlanta, Georgia 30332-0340

Received for review September 5, 2001

Revised manuscript received February 11, 2002

Accepted February 11, 2002

Abstract:

Air quality model predictions of the size and composition of atmospheric particle classes are evaluated by comparison with aerosol time-of-flight mass spectrometry (ATOFMS) measurements of single-particle size and composition at Long Beach and Riverside, CA, during September 1996. The air quality model tracks the physical diameter, chemical composition, and atmospheric concentration of thousands of representative particles from different emissions classes as they are transported from sources to receptors while undergoing atmospheric chemical reactions. In the model, each representative particle interacts with a common gas phase but otherwise evolves separately from all other particles. The model calculations yield an aerosol population, in which particles of a given size may exhibit different chemical compositions. ATOFMS data are adjusted according to the known particle detection efficiencies of the ATOFMS instruments, and model predictions are modified to simulate the chemical sensitivities and compositional detection limits of the ATOFMS instruments. This permits a direct, semiquantitative comparison between the air quality model predictions and the single-particle ATOFMS measurements to be made. The air quality model accurately predicts the fraction of atmospheric particles containing sodium, ammonium, nitrate, carbon, and mineral dust, across all particle sizes measured by ATOFMS at the Long Beach site, and in the coarse particle size range (Da 1.8 m) at the Riverside site. Given that this model evaluation is very likely the most stringent test of any aerosol air quality model to date, the model predictions show impressive agreement with the single-particle ATOFMS measurements.


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