Nucleation on a solid substrate: A density functional approach

V. Talanquer, David W. Oxtoby

Research output: Contribution to journalArticlepeer-review

72 Scopus citations

Abstract

We extend the density functional approach to the statistical mechanics of inhomogeneous fluids to calculate the rate of heterogeneous nucleation of the gas-to-liquid transition by a planar solid substrate. Comparison with classical nucleation theory (extended to incorporate the line tension that results from three-phase contact) reveals the inadequacy of the latter approaches as the spinodal is approached. Wetting and drying transitions have a large effect on the usefulness of classical theory. Free energies of formation for critical heterogeneous nuclei and their shapes and density profiles are calculated from density functional theory.

Original languageEnglish (US)
Pages (from-to)1483-1492
Number of pages10
JournalJournal of Chemical Physics
Volume104
Issue number4
DOIs
StatePublished - 1996

ASJC Scopus subject areas

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

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