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| Titel |
Explicit modelling of SOA formation from α-pinene photooxidation: sensitivity to vapour pressure estimation |
| VerfasserIn |
R. Valorso, B. Aumont, M. Camredon, T. Raventos-Duran, C. Mouchel-Vallon, N. L. Ng, J. H. Seinfeld, J. Lee-Taylor, S. Madronich |
| 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. 14 ; Nr. 11, no. 14 (2011-07-18), S.6895-6910 |
| Datensatznummer |
250009922
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| Publikation (Nr.) |
 copernicus.org/acp-11-6895-2011.pdf |
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| Zusammenfassung |
| The sensitivity of the formation of secondary organic aerosol (SOA) to the
estimated vapour pressures of the condensable oxidation products is
explored. A highly detailed reaction scheme was generated for α-pinene photooxidation using the Generator for Explicit Chemistry and
Kinetics of Organics in the Atmosphere (GECKO-A). Vapour pressures
(Pvap) were estimated with three commonly used structure activity
relationships. The values of Pvap were compared for the set of
secondary species generated by GECKO-A to describe α-pinene
oxidation. Discrepancies in the predicted vapour pressures were found to
increase with the number of functional groups borne by the species. For
semi-volatile organic compounds (i.e. organic species of interest for SOA
formation), differences in the predicted Pvap range between a factor of
5 to 200 on average. The simulated SOA concentrations were compared to SOA
observations in the Caltech chamber during three experiments performed under
a range of NOx conditions. While the model captures the qualitative
features of SOA formation for the chamber experiments, SOA concentrations
are systematically overestimated. For the conditions simulated, the modelled
SOA speciation appears to be rather insensitive to the Pvap estimation
method. |
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