Nucleation on a solid substrate: A density functional approach

Vicente A Talanquer, David W. Oxtoby

Research output: Contribution to journalArticle

68 Citations (Scopus)

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
JournalThe Journal of Chemical Physics
Volume104
Issue number4
StatePublished - 1996
Externally publishedYes

Fingerprint

Nucleation
nucleation
Statistical mechanics
energy of formation
Substrates
statistical mechanics
drying
Free energy
wetting
Density functional theory
Wetting
Drying
Gases
free energy
density functional theory
nuclei
Fluids
fluids
Liquids
liquids

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Nucleation on a solid substrate : A density functional approach. / Talanquer, Vicente A; Oxtoby, David W.

In: The Journal of Chemical Physics, Vol. 104, No. 4, 1996, p. 1483-1492.

Research output: Contribution to journalArticle

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