Monte Carlo simulation of homogeneous binary vapor-liquid nucleation: Mutual enhancement of nucleation in a partially miscible system

S. Yoo, K. J. Oh, X. C. Zeng

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

The equilibrium physical cluster distribution in a supersaturated vapor mixture was computed using Monte Carlo simulations. A statistical mechanical formula of Gibbs free energy based on physical-cluster theory of nucleation was derived and a molecular interpretation was presented. Results confirmed the existence of mutual enhancement of nucleation in a binary model system composed of Lennard-J ones monomers and dimers.

Original languageEnglish (US)
Pages (from-to)8518-8524
Number of pages7
JournalJournal of Chemical Physics
Volume115
Issue number18
DOIs
StatePublished - Nov 8 2001

Fingerprint

Nucleation
Vapors
nucleation
vapors
augmentation
Liquids
Gibbs free energy
liquids
Dimers
simulation
monomers
Monomers
dimers
Monte Carlo simulation

ASJC Scopus subject areas

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

Cite this

Monte Carlo simulation of homogeneous binary vapor-liquid nucleation : Mutual enhancement of nucleation in a partially miscible system. / Yoo, S.; Oh, K. J.; Zeng, X. C.

In: Journal of Chemical Physics, Vol. 115, No. 18, 08.11.2001, p. 8518-8524.

Research output: Contribution to journalArticle

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