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| Titel |
Development of a simple unified volatility-based scheme (SUVS) for secondary organic aerosol formation using genetic algorithms |
| VerfasserIn |
A. G. Xia, C. A. Stroud, P. A. Makar |
| 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 ; 11, no. 13 ; Nr. 11, no. 13 (2011-07-01), S.6185-6205 |
| Datensatznummer |
250009880
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| Publikation (Nr.) |
 copernicus.org/acp-11-6185-2011.pdf |
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| Zusammenfassung |
| A new method is proposed to simplify complex atmospheric chemistry reaction
schemes, while preserving SOA formation properties, using genetic
algorithms. The method is first applied in this study to the gas-phase
α-pinene oxidation scheme. The simple unified volatility-based
scheme (SUVS) reflects the multi-generation evolution of chemical species
from a near-explicit master chemical mechanism (MCM) and, at the same time,
uses the volatility-basis set speciation for condensable products. The SUVS
also unifies reactions between SOA precursors with different oxidants under
different atmospheric conditions. A total of 412 unknown parameters (product
yields of parameterized products, reaction rates, etc.) from the SUVS are
estimated by using genetic algorithms operating on the detailed mechanism.
The number of organic species was reduced from 310 in the detailed mechanism
to 31 in the SUVS. Output species profiles, obtained from the original
subset of the MCM reaction scheme for α-pinene oxidation, are
reproduced with maximum fractional error at 0.10 for scenarios under a wide
range of ambient HC/NOx conditions. Ultimately, the same SUVS with
updated parameters could be used to describe the SOA formation from
different precursors. |
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