Molecular mechanism of vapor-liquid nucleation

Koji Ohguchi, Kenji Yasuoka, Mitsuhiro Matsumoto

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

Molecular dynamics simulations were executed to investigate the mechanism of nucleation in Lennard-Jones binary vapor. It is found that nucleation around an ion-like, or "seed" particle takes place at the supersaturation ratio which is too low to cause homogeneous nucleation. At lower supersaturation ratio, no clusters larger than a certain size (15 ≃ 20) appear around the seed. We also executed Monte Carlo simulations to estimate the free energy of cluster formation under the same conditions. The free energy curves estimated from Monte Carlo simulations are consistent with the results of the molecular dynamics simulations.

Original languageEnglish
Pages (from-to)257-258
Number of pages2
JournalProgress of Theoretical Physics Supplement
Issue number138
Publication statusPublished - 2000

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nucleation
vapors
liquids
supersaturation
seeds
simulation
free energy
molecular dynamics
causes
curves
estimates
ions

ASJC Scopus subject areas

  • Physics and Astronomy(all)

Cite this

Molecular mechanism of vapor-liquid nucleation. / Ohguchi, Koji; Yasuoka, Kenji; Matsumoto, Mitsuhiro.

In: Progress of Theoretical Physics Supplement, No. 138, 2000, p. 257-258.

Research output: Contribution to journalArticle

Ohguchi, Koji ; Yasuoka, Kenji ; Matsumoto, Mitsuhiro. / Molecular mechanism of vapor-liquid nucleation. In: Progress of Theoretical Physics Supplement. 2000 ; No. 138. pp. 257-258.
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