Formation free energy of clusters in vapor-liquid nucleation

A Monte Carlo simulation study

K. J. Oh, Xiao C Zeng

Research output: Contribution to journalArticle

60 Citations (Scopus)

Abstract

The formation free energy of clusters in a supersaturated vapor is obtained by a constrained Monte Carlo technique. A key feature of this approach is to set an upper limit to the size of cluster. This maximum cluster size serves essentially as an extra thermodynamic variable that constrains the system. As a result, clusters larger than the critical cluster of nucleation in the supersaturated vapor can no longer grow beyond the limiting size. Like changing the overall density of the system, changing the maximum cluster size also results in a different supersaturation and thereby a different formation free energy. However, at the same supersaturation and temperature it is found that the formation free energy has a unique value, independent of the upper limit of cluster size. The predicted size of critical cluster of nucleation is found to be consistent with the nucleation theorem as well as previous results using different simulation approaches.

Original languageEnglish (US)
Pages (from-to)4471-4476
Number of pages6
JournalJournal of Chemical Physics
Volume110
Issue number9
DOIs
StatePublished - Mar 1 1999

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Free energy
Nucleation
Supersaturation
free energy
Vapors
nucleation
vapors
Liquids
liquids
simulation
supersaturation
Thermodynamics
Monte Carlo simulation
Temperature
theorems
thermodynamics

ASJC Scopus subject areas

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

Cite this

Formation free energy of clusters in vapor-liquid nucleation : A Monte Carlo simulation study. / Oh, K. J.; Zeng, Xiao C.

In: Journal of Chemical Physics, Vol. 110, No. 9, 01.03.1999, p. 4471-4476.

Research output: Contribution to journalArticle

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