Critical clusters in binary mixtures: A density functional approach

V. Talanquer, David W. Oxtoby

Research output: Contribution to journalArticle

31 Scopus citations

Abstract

We apply a square-gradient density functional theory to study the nucleation of the gas-to-liquid transition for nonideal binary mixtures. For weakly nonideal mixtures, we predict deviations from ideal behavior in the compositions and free energies of critical nuclei. When the nonideality becomes large enough to allow miscibility gaps, some qualitatively new features arise. We find regions in phase space in which more than one critical nucleus can form, as well as cases in which the critical nucleus itself begins to phase separate, forming a structure of cylindrical symmetry in which the two ends are enriched in the two components of the mixture.

Original languageEnglish (US)
Pages (from-to)1993-1999
Number of pages7
JournalJournal of Chemical Physics
Volume104
Issue number5
DOIs
StatePublished - Jan 1 1996
Externally publishedYes

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Critical clusters in binary mixtures: A density functional approach'. Together they form a unique fingerprint.

  • Cite this