Critical clusters in binary mixtures: A density functional approach

V. Talanquer, David W. Oxtoby

Research output: Contribution to journalArticlepeer-review

32 Scopus citations


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
Issue number5
StatePublished - 1996

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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