Nucleation in dipolar fluids: Stockmayer fluids

Vicente A Talanquer, D. W. Oxtoby

Research output: Contribution to journalArticle

41 Citations (Scopus)

Abstract

We have used density functional theory to begin the study of nucleation in dipolar fluids. The simplest case of a system composed of Stockmayer molecules has been considered. Under a Weeks-Chandler-Andersen perturbation scheme we obtain the corresponding bulk phase diagram and interfacial properties of planar and spherical liquid-vapor interfaces. Molecules tend to align perpendicular to the interface on the liquid side of small droplets, but the overall effect of this on free energies is negligible. The resulting nonclassical effects on nucleation rates are, hence, close to those found in nonpolar Lennard-Jones fluids.

Original languageEnglish (US)
Pages (from-to)4670-4679
Number of pages10
JournalThe Journal of Chemical Physics
Volume99
Issue number6
StatePublished - 1993
Externally publishedYes

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Nucleation
nucleation
Molecules
liquid-vapor interfaces
Fluids
fluids
Liquids
Free energy
Phase diagrams
Density functional theory
molecules
free energy
Vapors
phase diagrams
density functional theory
perturbation
liquids

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Nucleation in dipolar fluids : Stockmayer fluids. / Talanquer, Vicente A; Oxtoby, D. W.

In: The Journal of Chemical Physics, Vol. 99, No. 6, 1993, p. 4670-4679.

Research output: Contribution to journalArticle

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