Nucleation in dipolar fluids: Stockmayer fluids

V. Talanquer, D. W. Oxtoby

Research output: Contribution to journalArticlepeer-review

43 Scopus citations

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
DOIs
StatePublished - 1993
Externally publishedYes

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Nucleation in dipolar fluids: Stockmayer fluids'. Together they form a unique fingerprint.

Cite this