Liquid-vapor equilibrium and surface tension in Lennard-Jones systems

Citation
Vg. Baidakov et al., Liquid-vapor equilibrium and surface tension in Lennard-Jones systems, RUSS J PH C, 74(8), 2000, pp. 1241-1245
Citations number
18
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY
ISSN journal
00360244 → ACNP
Volume
74
Issue
8
Year of publication
2000
Pages
1241 - 1245
Database
ISI
SICI code
0036-0244(200008)74:8<1241:LEASTI>2.0.ZU;2-7
Abstract
The thermodynamic parameters of coexisting phases, surface tension, the eff ective thickness of the transition layer, and the mean-square amplitude of capillary waves were calculated for two-phase models of 1024 and 4096 Lenna rd-Jones particles by the method of molecular dynamics. The calculations we re performed with cutoff radii of interparticle interaction potentials r(c1 ) = 2.6 sigma and r(c2) = 6.78 sigma. It was shown that a correct descripti on of two-phase system properties required selecting much larger potential cutoff radii than with single-phase models.