Molecular dynamics simulation of supersaturated vapor nucleation in slit pore

Kenji Yasuoka, G. T. Gao, X. C. Zeng

Research output: Contribution to journalArticle

50 Citations (Scopus)

Abstract

Molecular dynamics simulations of nucleation of Lennard-Jones vapor confined in a slit pore have been performed. The walls of the slit pore are structureless walls; each wall interacts with vapor molecules via Lennard-Jones 9-3 potential. The rate of nucleation in the steady state is determined by analyzing time evolution of the cluster size distribution. At the same vapor density and temperature, the nucleation rate in the slit pore is higher than in the homogeneous vapor [K. Yasuoka and M. Matsumoto, J. Chem. Phys. 109, 8451 (1998)], irrespective of the strength of attraction between the wall and vapor molecules. However, this attraction strongly affects the process of nucleus formation: if the attraction is weak (a drying wall), nuclei tend to form in the middle of the pore, whereas if the attraction is strong (a wetting wall), the nucleus formation originates from two sources, the surface diffusion of adsorbed molecules and deposition of clusters formed in the middle of the pore.

Original languageEnglish
Pages (from-to)4279-4285
Number of pages7
JournalJournal of Chemical Physics
Volume112
Issue number9
Publication statusPublished - 2000 Mar 1

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slits
Molecular dynamics
Nucleation
Vapors
nucleation
vapors
molecular dynamics
porosity
attraction
Computer simulation
Molecules
simulation
Density of gases
nuclei
Surface diffusion
Wetting
molecules
Drying
surface diffusion
drying

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. / Yasuoka, Kenji; Gao, G. T.; Zeng, X. C.

In: Journal of Chemical Physics, Vol. 112, No. 9, 01.03.2000, p. 4279-4285.

Research output: Contribution to journalArticle

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