Heterogeneous nucleation on mesoscopic wettable particles : A hybrid thermodynamic/density-functional theory

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Detail(s)

Original languageEnglish
Pages (from-to)1851-1868
Journal / PublicationJournal of Chemical Physics
Volume117
Issue number4
Publication statusPublished - 22 Jul 2002
Externally publishedYes

Abstract

A hybrid thermodynamic and density-functional theory (DFT) for heterogeneous nucleation on mesoscopic wettable particles was developed. The system consisted of a Lennard-Jones (LJ) fluid and a 9-3 LJ wall for the solid particle. The temperature dependencies of the surface tension and the Tolman length of the liquid-vapor interface was investigated using a nonlocal weighted density approximation (WDA)-(DFT). The effects of droplet curvature and compressibility were also studied in the theory. Characteristics of heterogeneous nucleation, including chemical potential of the liquid condensate, the free energy of droplet formation and barrier height to nucleation were obtained.

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