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| Titel |
The sensitivity of secondary organic aerosol (SOA) component partitioning to the predictions of component properties – Part 3: Investigation of condensed compounds generated by a near-explicit model of VOC oxidation |
| VerfasserIn |
M. H. Barley, D. Topping, D. Lowe, S. Utembe, G. McFiggans |
| 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. 24 ; Nr. 11, no. 24 (2011-12-21), S.13145-13159 |
| Datensatznummer |
250010295
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| Publikation (Nr.) |
 copernicus.org/acp-11-13145-2011.pdf |
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| Zusammenfassung |
| Calculations of the absorptive partitioning of secondary organic aerosol
components were carried out using a number of methods to estimate vapour
pressure and non-ideality. The sensitivity of predicted condensed component
masses, volatility, O:C ratio, molar mass and functionality distribution to
the choice of estimation methods was investigated in mixtures of around 2700
compounds generated by a near explicit mechanism of atmospheric VOC
degradation. The sensitivities in terms of all metrics were comparable to
those previously reported (using 10 000 semi-randomly generated compounds). In
addition, the change in predicted aerosol properties and composition with
changing VOC emission scenario was investigated showing key dependencies on
relative anthropogenic and biogenic contributions. Finally, the contribution
of non-ideality to the changing distribution of condensed components was
explored in terms of the shift in effective volatility by virtue of component
activity coefficients, clearly demonstrating both enhancement and reduction
of component masses associated with negative and positive deviations from
ideality. |
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