A self-consistent weighted-density-functional approach to the structure of simple fluids

被引:6
|
作者
Patra, CN [1 ]
Ghosh, SK [1 ]
机构
[1] Bhabha Atom Res Ctr, Chem Grp, RC & CD Div, Theoret Chem Sect, Bombay 400085, Maharashtra, India
来源
JOURNAL OF CHEMICAL PHYSICS | 2002年 / 116卷 / 22期
关键词
D O I
10.1063/1.1475757
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
A self-consistent procedure for studying the structure of simple fluids is developed, where a modified density expression of Denton-Ashcroft version of weighted density approximation is used as a closure in the integral equation theory for the uniform fluids. The density equation uses the more accurate Carnahan-Starling equation of state and is made to satisfy the sum rule at contact. This new self-consistent approach is employed to predict the structure of nonuniform hard-sphere fluids near a hard wall. The calculated results on the radial distribution function and the density profiles are shown to compare well with the available simulation data. (C) 2002 American Institute of Physics.
引用
收藏
页码:9845 / 9849
页数:5
相关论文
共 50 条
  • [21] WEIGHTED-DENSITY-FUNCTIONAL THEORY OF NONUNIFORM IONIC FLUIDS - APPLICATION TO ELECTRIC DOUBLE-LAYERS
    PATRA, CN
    GHOSH, SK
    PHYSICAL REVIEW E, 1993, 47 (06): : 4088 - 4097
  • [22] A self-consistent density-functional approach to the structure of nonuniform binary hard-core Yukawa mixtures
    Patra, CN
    Smith, GD
    JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (01):
  • [23] A self-consistent density-functional approach to the structure of electric double layer: charge-asymmetric electrolytes
    Goel, Teena
    Patra, Chandra N.
    Ghosh, Swapan K.
    Mukherjee, Tulsi
    MOLECULAR PHYSICS, 2009, 107 (01) : 19 - 25
  • [24] Self-consistent Ornstein-Zernike approach to polymer fluids
    Hoye, JS
    Lee, CL
    Stell, G
    MOLECULAR SIMULATION, 2003, 29 (12) : 727 - 733
  • [25] Time correlation functions of classical fluids: A self-consistent approach
    Sharma, RK
    Moudgil, RK
    Tankeshwar, K
    PHYSICAL REVIEW E, 1996, 54 (04): : 3652 - 3656
  • [26] Structure of electric double layers: A simple weighted density functional approach
    Patra, CN
    JOURNAL OF CHEMICAL PHYSICS, 1999, 111 (21): : 9832 - 9838
  • [27] Covariant density functional theory for decay of deformed proton emitters: A self-consistent approach
    Ferreira, L. S.
    Maglione, E.
    Ring, P.
    PHYSICS LETTERS B, 2016, 753 : 237 - 241
  • [28] Phase separation of asymmetric binary hard-sphere fluids: Self-consistent density functional theory
    1600, American Physical Society, Melville, United States (72):
  • [29] SELF-CONSISTENT RELATIVISTIC BAND-STRUCTURE OF TMS IN THE LOCAL DENSITY FUNCTIONAL APPROXIMATION
    FARBEROVICH, OV
    NIZHNIKOVA, GP
    VLASOV, SV
    DOMASHEVSKAYA, EP
    FIZIKA TVERDOGO TELA, 1984, 26 (02): : 554 - 556
  • [30] WEIGHTED-DENSITY-FUNCTIONAL THEORY OF INHOMOGENEOUS LIQUIDS AND THE FREEZING TRANSITION
    CURTIN, WA
    ASHCROFT, NW
    PHYSICAL REVIEW A, 1985, 32 (05): : 2909 - 2919