Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water

Kenji Yasuoka, Mitsuhiro Matsumoto

Research output: Contribution to journalArticle

116 Citations (Scopus)

Abstract

Homogeneous nucleation process in the vapor phase of water is investigated with a molecular dynamics computer simulation at 350 K under supersaturation ratio 7.3. Using a method similar to Lennard-Jones fluid (Part I), the nucleation rate is three orders of magnitude smaller than prediction of a classical nucleation theory. The kinetically defined critical nucleus size is 30-45, much larger than the thermodynamically defined value of 1.0 estimated with the classical theory. Free energy of cluster formation is estimated from the cluster size distribution in steady state time region. The predicted nucleation rate with this free energy agrees with the simulation result. It is concluded that considering the cluster size dependence of surface tension is very important.

Original languageEnglish
Pages (from-to)8463-8470
Number of pages8
JournalJournal of Chemical Physics
Volume109
Issue number19
DOIs
Publication statusPublished - 1998 Dec 1
Externally publishedYes

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Molecular dynamics of homogeneous nucleation in the vapor phase. II. Water'. Together they form a unique fingerprint.

  • Cite this