Nucleation in the presence of an amphiphile: A density functional approach

Vicente A Talanquer, David W. Oxtoby

Research output: Contribution to journalArticle

17 Citations (Scopus)

Abstract

Density functional theory is applied to the study of gas-to-liquid nucleation in binary and ternary mixtures with one amphiphilic component. The theory allows the evaluation of density profiles and molecular orientation distributions in the critical nucleus. The predicted cluster compositions for binary and ternary systems resemble qualitatively the experimental behavior for water-n-alcohol and water-n-butanol-n-nonane mixtures, respectively.

Original languageEnglish (US)
Pages (from-to)3673-3680
Number of pages8
JournalThe Journal of Chemical Physics
Volume106
Issue number9
StatePublished - Mar 1 1997
Externally publishedYes

Fingerprint

Amphiphiles
Nucleation
nucleation
nonanes
1-Butanol
Molecular orientation
Water
Ternary systems
ternary systems
water
binary mixtures
Density functional theory
alcohols
Gases
Alcohols
density functional theory
nuclei
evaluation
Liquids
liquids

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Nucleation in the presence of an amphiphile : A density functional approach. / Talanquer, Vicente A; Oxtoby, David W.

In: The Journal of Chemical Physics, Vol. 106, No. 9, 01.03.1997, p. 3673-3680.

Research output: Contribution to journalArticle

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