Dynamical density functional theory of gas-liquid nucleation

V. Talanquer, David W. Oxtoby

Research output: Contribution to journalArticlepeer-review

150 Scopus citations


We present a consistent dynamical nucleation theory based on density functional theory. By considering the properties of stable droplets in closed volumes, the height and shape of the barrier to nucleation are calculated. Contributions from fluctuations in the center of mass of the nucleating cluster are taken into account. Forward and backward rates for cluster dynamics are obtained, and nucleation rates are then evaluated under steady-state conditions. We test the quantitative effects of several shortcuts to calculating nucleation rates. The predictions of the full theory presented here show very modest changes from those of the simpler nonclassical theory proposed earlier by Oxtoby and co-workers.

Original languageEnglish (US)
Pages (from-to)5190-5200
Number of pages11
JournalThe Journal of chemical physics
Issue number7
StatePublished - 1994

ASJC Scopus subject areas

  • General Physics and Astronomy
  • Physical and Theoretical Chemistry


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