Mechanism of two-step vapour–crystal nucleation in a pore
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Publication Date
2015-04-15Journal Title
Molecular Physics
ISSN
0026-8976
Publisher
Taylor & Francis
Volume
113
Number
2015
Pages
2742-2754
Language
English
Type
Article
Metadata
Show full item recordCitation
van, M. J., Liu, Y., & Frenkel, D. (2015). Mechanism of two-step vapour–crystal nucleation in a pore. Molecular Physics, 113 (2015), 2742-2754. https://doi.org/10.1080/00268976.2015.1031844
Abstract
We present a numerical study of the effect of hemispherical pores on the nucleation of Lennard–Jones crystals from the vapour phase. As predicted by Page and Sear, there is a narrow range of pore radii, where vapour–liquid nucleation can become a two-step process. A similar observation was made for different pore geometries by Giacomello et al. We find that the maximum nucleation rate depends on both the size and the adsorption strength of the pore. Moreover, a poe can be more effective than a planar wall with the same strength of attraction. Pore-induced vapour–liquid nucleation turns out to be the rate-limiting step for crystal nucleation. This implies that crystal nucleation can be enhanced by a judicious choice of the wetting properties of a microporous nucleating agent.
Keywords
nucleation, wetting, crystallisation, Monte Carlo simulation
Sponsorship
The work of the FOM Institute is part of the research program of FOM and is made possible by financial support from the Netherlands Organisation for Scientific Research (NWO). DF acknowledges financial support from ERC Advanced Grant 227758 and from EPSRC Programme Grant EP/I001352/1).
Funder references
EPSRC (EP/I001352/1)
European Research Council (227758)
Identifiers
External DOI: https://doi.org/10.1080/00268976.2015.1031844
This record's URL: https://www.repository.cam.ac.uk/handle/1810/247947
Rights
Attribution 2.0 UK: England & Wales
Licence URL: http://creativecommons.org/licenses/by/2.0/uk/
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