Molecular dynamics simulation of supersaturated vapor nucleation in slit pore

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

研究成果: Article

50 引用 (Scopus)

抄録

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.

元の言語English
ページ(範囲)4279-4285
ページ数7
ジャーナルJournal of Chemical Physics
112
発行部数9
出版物ステータスPublished - 2000 3 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

これを引用

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

:: Journal of Chemical Physics, 巻 112, 番号 9, 01.03.2000, p. 4279-4285.

研究成果: Article

Yasuoka, Kenji ; Gao, G. T. ; Zeng, X. C. / Molecular dynamics simulation of supersaturated vapor nucleation in slit pore. :: Journal of Chemical Physics. 2000 ; 巻 112, 番号 9. pp. 4279-4285.
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