THE ROLE OF ATTRACTIVE INTERMOLECULAR FORCES IN THE DENSITY FUNCTIONAL THEORY OF INHOMOGENEOUS FLUIDS

被引:60
|
作者
SOKOLOWSKI, S
FISCHER, J
机构
[1] FORSCHUNGSZENTRUM JULICH, HLRZ, W-5170 JULICH 1, GERMANY
[2] MARIE CURIE SKLODOWSKA UNIV, FAC CHEM, DEPT THEORET PHYS, PL-20031 LUBLIN, POLAND
来源
JOURNAL OF CHEMICAL PHYSICS | 1992年 / 96卷 / 07期
关键词
D O I
10.1063/1.462727
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
The density functional theory of Meister and Kroll for nonuniform simple fluids [Phys. Rev. A 31, 4055, (1985)] is modified in order to take into account pair correlations in the attractive energy term. The theory is applied for the calculation of density profiles of argon in the case of the free liquid surface and in the case of adsorption on "solid carbon dioxide." For the gas-liquid interface the theory yields dew and bubble densities, which are in good agreement with computer simulations. For the adsorption of argon on solid CO2, the first-order thin-film to thick-film transition is confirmed.
引用
收藏
页码:5441 / 5447
页数:7
相关论文
共 50 条
  • [1] DISPLAYING THE ROLE OF REPULSIVE AND ATTRACTIVE INTERMOLECULAR FORCES IN FLUIDS
    MULERO, A
    CUADROS, F
    PEREZAYALA, M
    AMERICAN JOURNAL OF PHYSICS, 1993, 61 (07) : 641 - 646
  • [2] Perturbation density functional theory for inhomogeneous fluids
    Zhou, Shiqi
    Jamnik, Andrej
    ACTA CHIMICA SLOVENICA, 2006, 53 (03) : 350 - 356
  • [3] Density functional theory for inhomogeneous ring polymeric fluids
    Jiang, Jian
    Xu, Xiaofei
    Cao, Dapeng
    PHYSICAL REVIEW E, 2012, 86 (04):
  • [4] Density functional theory for inhomogeneous associating chain fluids
    Bryk, P.
    Sokolowski, S.
    Pizio, O.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (02):
  • [5] Density functional theory for inhomogeneous mixtures of polymeric fluids
    Yu, YX
    Wu, JZ
    JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (05): : 2368 - 2376
  • [6] Density functional theory of inhomogeneous mixtures of polymeric fluids.
    Wu, JZ
    Yu, YX
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2003, 225 : U630 - U630
  • [7] Density-functional theory of inhomogeneous fluids in the canonical ensemble
    White, JA
    González, A
    Román, FL
    Velasco, S
    PHYSICAL REVIEW LETTERS, 2000, 84 (06) : 1220 - 1223
  • [8] DENSITY-FUNCTIONAL THEORY FOR INHOMOGENEOUS FLUIDS - APPLICATION TO WETTING
    MEISTER, TF
    KROLL, DM
    PHYSICAL REVIEW A, 1985, 31 (06): : 4055 - 4057
  • [9] Density-functional perturbation theory of inhomogeneous simple fluids
    Tang, Zixiang
    Scriven, L.E.
    Davis, H.T.
    Journal of Chemical Physics, 1991, 95 (04): : 2659 - 2668
  • [10] DENSITY FUNCTIONAL THEORY FOR INHOMOGENEOUS FLUIDS - EFFECTS OF TRIPLE CORRELATIONS
    SOKOLOWSKI, S
    FISCHER, J
    MOLECULAR PHYSICS, 1989, 68 (03) : 647 - 657