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| Titel |
Multi-generational oxidation model to simulate secondary organic aerosol in a 3-D air quality model |
| VerfasserIn |
S. H. Jathar, C. D. Cappa, A. S. Wexler, J. H. Seinfeld, M. J. Kleeman |
| Medientyp |
Artikel
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| Sprache |
Englisch
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| ISSN |
1991-959X
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| Digitales Dokument |
URL |
| Erschienen |
In: Geoscientific Model Development ; 8, no. 8 ; Nr. 8, no. 8 (2015-08-13), S.2553-2567 |
| Datensatznummer |
250116505
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| Publikation (Nr.) |
 copernicus.org/gmd-8-2553-2015.pdf |
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| Zusammenfassung |
| Multi-generational gas-phase oxidation of organic vapors can influence the
abundance, composition and properties of secondary organic aerosol (SOA).
Only recently have SOA models been developed that explicitly represent
multi-generational SOA formation. In this work, we integrated the statistical
oxidation model (SOM) into SAPRC-11 to simulate the multi-generational
oxidation and gas/particle partitioning of SOA in the regional UCD/CIT (University of California, Davis/California Institute of Technology) air
quality model. In the SOM, evolution of organic vapors by reaction with the
hydroxyl radical is defined by (1) the number of oxygen atoms added per
reaction, (2) the decrease in volatility upon addition of an oxygen atom and
(3) the probability that a given reaction leads to fragmentation of the
organic molecule. These SOM parameter values were fit to laboratory smog
chamber data for each precursor/compound class. SOM was installed in the
UCD/CIT model, which simulated air quality over 2-week periods in the South
Coast Air Basin of California and the eastern United States. For the regions
and episodes tested, the two-product SOA model and SOM produce similar SOA
concentrations but a modestly different SOA chemical composition. Predictions
of the oxygen-to-carbon ratio qualitatively agree with those measured
globally using aerosol mass spectrometers. Overall, the implementation of the
SOM in a 3-D model provides a comprehensive framework to simulate the
atmospheric evolution of organic aerosol. |
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