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| Titel |
Enhancing effect of dimethylamine in sulfuric acid nucleation in the presence of water – a computational study |
| VerfasserIn |
V. Loukonen, T. Kurtén, I. K. Ortega, H. Vehkamäki, A. A. H. Pádua, K. Sellegri, M. Kulmala  |
| 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 ; 10, no. 10 ; Nr. 10, no. 10 (2010-05-28), S.4961-4974 |
| Datensatznummer |
250008488
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| Publikation (Nr.) |
 copernicus.org/acp-10-4961-2010.pdf |
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| Zusammenfassung |
| We have studied the hydration of sulfuric acid – ammonia and sulfuric acid – dimethylamine
clusters using quantum chemistry. We calculated the formation energies and thermodynamics
for clusters of one ammonia or one dimethylamine molecule together with 1–2 sulfuric acid
and 0–5 water molecules. The results indicate that dimethylamine enhances the addition of
sulfuric acid to the clusters much more efficiently than ammonia when the number of water
molecules in the cluster is either zero, or greater than two. Further hydrate distribution
calculations reveal that practically all dimethylamine-containing two-acid clusters will
remain unhydrated in tropospherically relevant circumstances, thus strongly suggesting that
dimethylamine assists atmospheric sulfuric acid nucleation much more effectively than
ammonia. |
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