Binary homogeneous nucleation theory for the gas-liquid transition: A nonclassical approach

X. C. Zeng, D. W. Oxtoby

Research output: Contribution to journalArticle

57 Citations (Scopus)

Abstract

We have employed density functional theory to study gas-liquid nucleation in binary fluids. Effects of surface enrichment and curvature are naturally included in this novel statistical mechanical approach, allowing the classical capillarity approximation to be tested. In this paper we apply the theory to mixtures of Lennard-Jones fluids (modeled on argon and krypton). For these nearly ideal mixtures, the magnitude of nonclassical effects tend to be small, but systematic deviations do appear, with the ratio of the classical to nonclassical rate showing a maximum at intermediate compositions.

Original languageEnglish (US)
Pages (from-to)5940-5947
Number of pages8
JournalJournal of Chemical Physics
Volume95
Issue number8
DOIs
StatePublished - Jan 1 1991

Fingerprint

Nucleation
Gases
nucleation
Krypton
binary fluids
Fluids
Argon
Capillarity
Liquids
krypton
liquids
gases
Density functional theory
curvature
argon
density functional theory
deviation
fluids
Chemical analysis
approximation

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Binary homogeneous nucleation theory for the gas-liquid transition : A nonclassical approach. / Zeng, X. C.; Oxtoby, D. W.

In: Journal of Chemical Physics, Vol. 95, No. 8, 01.01.1991, p. 5940-5947.

Research output: Contribution to journalArticle

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