Molecular dynamics simulation of supersaturated vapor nucleation in slit pore

Citation
K. Yasuoka et al., Molecular dynamics simulation of supersaturated vapor nucleation in slit pore, J CHEM PHYS, 112(9), 2000, pp. 4279-4285
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
112
Issue
9
Year of publication
2000
Pages
4279 - 4285
Database
ISI
SICI code
0021-9606(20000301)112:9<4279:MDSOSV>2.0.ZU;2-A
Abstract
Molecular dynamics simulations of nucleation of Lennard-Jones vapor confine d in a slit pore have been performed. The walls of the slit pore are struct ureless walls; each wall interacts with vapor molecules via Lennard-Jones 9 -3 potential. The rate of nucleation in the steady state is determined by a nalyzing time evolution of the cluster size distribution. At the same vapor density and temperature, the nucleation rate in the slit pore is higher th an in the homogeneous vapor [K. Yasuoka and M. Matsumoto, J. Chem. Phys. 10 9, 8451 (1998)], irrespective of the strength of attraction between the wal l and vapor molecules. However, this attraction strongly affects the proces s of nucleus formation: if the attraction is weak (a drying wall), nuclei t end 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 su rface diffusion of adsorbed molecules and deposition of clusters formed in the middle of the pore. (C) 2000 American Institute of Physics. [S0021-9606 (00)50508-X].