Simulation of supersaturated vapor nucleation on molecular condensation nuclei

The results of model calculations of nucleation of di(2-ethylhexyl)sebacate (DEHS) supersatu-rated vapor on FeO molecules based of the simplest structural models of clusters are considered. The earlier conclusion that the allowance for the escape of a molecular condensation nucleus (MCN) from a clus...

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Bibliographic Details
Published in:Technical physics 2012-08, Vol.57 (8), p.1068-1074
Main Authors: Rybin, E. N., Valyukhov, V. P., Kuptsov, V. D.
Format: Article
Language:English
Subjects:
Analysis
Classical and Continuum Physics
Gases and Liquids
Iron oxides
Physics
Physics and Astronomy
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Summary:The results of model calculations of nucleation of di(2-ethylhexyl)sebacate (DEHS) supersatu-rated vapor on FeO molecules based of the simplest structural models of clusters are considered. The earlier conclusion that the allowance for the escape of a molecular condensation nucleus (MCN) from a cluster weakly affects the results of analysis of nucleation on a MCN is confirmed. It is found that the interaction of electric charges of the FeO molecule and the ester groups of the DEHS molecule plays the important role in the DEHS nucleation. The importance of the strength of the bond between the MCN and the first condensate molecule is established. The strength of this bond considerably affects the coefficient of conversion of the MCN into aerosol particles as well as the form of the dependence of this quantity on the spontaneous condensation background.
ISSN:1063-7842
1090-6525
DOI:10.1134/S1063784212080208