Density-functional study of homogeneous bubble nucleation in the stretched Lennard-Jones fluid

Vincent K. Shen, Pablo G. Debenedetti

Research output: Contribution to journalArticle

67 Scopus citations

Abstract

Stretched Lennard-Jones liquids were investigated for homogenous bubble nucleation, using density-functional theory. The analysis included parameters such as: normalization of interfacial thickness, size of bubble, barrier height and average bubble density calculations at different temperatures. Classical behaviour of the system was analyzed for modest degrees of metastability for the gas-liquid interface. The variation in density functions to classical free energy barrier was investigated with respect to the chemical potential differences. Dependence of parameters such as the density on degree of metastability were also reported. Nucleation rates were also predicted on the basis of the degree of supersaturation.

Original languageEnglish (US)
Pages (from-to)4149-4159
Number of pages11
JournalJournal of Chemical Physics
Volume114
Issue number9
DOIs
StatePublished - Mar 1 2001

All Science Journal Classification (ASJC) codes

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

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