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| Titel |
Explicit modeling of volatile organic compounds partitioning in the atmospheric aqueous phase |
| VerfasserIn |
C. Mouchel-Vallon, P. Brauer, M. Camredon, R. Valorso, S. Madronich, H. Herrmann, B. Aumont |
| Medientyp |
Artikel
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| Sprache |
Englisch
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| ISSN |
1680-7316
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| Digitales Dokument |
URL |
| Erschienen |
In: Atmospheric Chemistry and Physics ; 13, no. 2 ; Nr. 13, no. 2 (2013-01-25), S.1023-1037 |
| Datensatznummer |
250017614
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| Publikation (Nr.) |
 copernicus.org/acp-13-1023-2013.pdf |
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| Zusammenfassung |
| The gas phase oxidation of organic species is a multigenerational process
involving a large number of secondary compounds. Most secondary organic
species are water-soluble multifunctional oxygenated molecules. The fully
explicit chemical mechanism GECKO-A (Generator of Explicit Chemistry and
Kinetics of Organics in the Atmosphere) is used to describe the oxidation of
organics in the gas phase and their mass transfer to the aqueous phase. The
oxidation of three hydrocarbons of atmospheric interest (isoprene, octane
and α-pinene) is investigated for various NOx conditions. The
simulated oxidative trajectories are examined in a new two dimensional space
defined by the mean oxidation state and the solubility. The amount of
dissolved organic matter was found to be very low (yield less than 2% on
carbon atom basis) under a water content typical of deliquescent aerosols.
For cloud water content, 50% (isoprene oxidation) to 70% (octane
oxidation) of the carbon atoms are found in the aqueous phase after the
removal of the parent hydrocarbons for low NOx conditions. For high NOx
conditions, this ratio is only 5% in the isoprene oxidation case, but
remains large for α-pinene and octane oxidation cases (40% and
60%, respectively). Although the model does not yet include chemical
reactions in the aqueous phase, much of this dissolved organic matter should
be processed in cloud drops and modify both oxidation rates and the
speciation of organic species. |
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