中国化学工程学报(英文版)
中國化學工程學報(英文版)
중국화학공정학보(영문판)
CHINESE JOURNAL OF CHEMICAL ENGINEERING
2004年
2期
256-262
,共7页
吴畏%陆九芳%付东%刘金晨%李以圭
吳畏%陸九芳%付東%劉金晨%李以圭
오외%륙구방%부동%류금신%리이규
density functional theory%surface tension%density profile%pure non-polar fluids
The density functional theory, simplified by the local density approximation and mean-field approximation, is applied to study the surface properties of pure non-polar fluids. A reasonable long rang correction is adopted to avoid the truncation of the potential. The perturbation theory is applied to establish the equation for the phase equilibrium, in which the hard-core chain fluid is as the reference fluid and the Yukawa potential is used as the perturbation term. Three parameters, ε/k, d and ms, are regressed from the vapor-liquid equilibria, and the surface properties, including density profile, surface tension and local surface tension profile are predicted with these parameters.
