Gas-liquid nucleation in associating fluids

V. Talanquer, David W. Oxtoby

Research output: Contribution to journalArticle

26 Scopus citations

Abstract

The density functional approach to nucleation is extended to the study of the condensation of associating fluids. We use Wertheim theory for associating liquids in a system of spherical interacting molecules with single association sites. Our calculations show that classical nucleation theory largely underestimates the height of the nucleation barrier in this kind of system, but most of that error can be corrected through the classical model of Katz, Saltsburg, and Reiss for nucleation in associated vapors.

Original languageEnglish (US)
Pages (from-to)851-856
Number of pages6
JournalJournal of Chemical Physics
Volume112
Issue number2
DOIs
StatePublished - Jan 8 2000
Externally publishedYes

ASJC Scopus subject areas

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

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