Gas-liquid nucleation in two-dimensional fluids

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

A nonclassical theory of nucleation, based on the density-functional (DF) approach, is developed for the gas-liquid transitions of two-dimensional (2D) Lennard-Jones (LJ) fluids. The methods of Weeks-Chandler-Andersen perturbation theory are used to approximate the LJ potential with a temperature-dependent hard-disk diameter plus an attractive tail. The resulting free energy functional is then used to calculate the free energy barrier to nucleation. We find that the curvature of the 2D nucleus is not important to the rate of nucleation (in contrast to the 3D counterpart). The effect of curvature is readily inferred from the ratio of nucleation rate from classical Becker-Döring theory to that from DF theory. Our calculation suggests that classical nucleation theory actually works reasonably well for 2D LJ fluids in predicting the temperature-dependence of the nucleation rate (whereas for 3D LJ fluids it fails badly).

Original languageEnglish (US)
Pages (from-to)2699-2704
Number of pages6
JournalJournal of Chemical Physics
Volume104
Issue number7
DOIs
StatePublished - Jan 1 1996

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Nucleation
Gases
nucleation
Fluids
fluids
Liquids
liquids
gases
Free energy
free energy
curvature
Lennard-Jones potential
Hard disk storage
Energy barriers
Density functional theory
perturbation theory
density functional theory
Temperature
temperature dependence
nuclei

ASJC Scopus subject areas

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

Cite this

Gas-liquid nucleation in two-dimensional fluids. / Zeng, X. C.

In: Journal of Chemical Physics, Vol. 104, No. 7, 01.01.1996, p. 2699-2704.

Research output: Contribution to journalArticle

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