Gas-liquid nucleation in associating fluids

Vicente A Talanquer, David W. Oxtoby

Research output: Contribution to journalArticle

26 Citations (Scopus)

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
JournalThe Journal of Chemical Physics
Volume112
Issue number2
StatePublished - Jan 8 2000
Externally publishedYes

Fingerprint

Nucleation
Gases
nucleation
Fluids
fluids
Liquids
liquids
gases
Condensation
condensation
Vapors
Association reactions
vapors
Molecules
molecules

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Gas-liquid nucleation in associating fluids. / Talanquer, Vicente A; Oxtoby, David W.

In: The Journal of Chemical Physics, Vol. 112, No. 2, 08.01.2000, p. 851-856.

Research output: Contribution to journalArticle

Talanquer, Vicente A ; Oxtoby, David W. / Gas-liquid nucleation in associating fluids. In: The Journal of Chemical Physics. 2000 ; Vol. 112, No. 2. pp. 851-856.
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