A Self-Consistent Density-Functional Approach for Homogeneous and Inhomogeneous Classical Fluids

Search this Article

Author(s)

Abstract

A self-consistent density-functional theory (DFT) for homogeneous and inhomogeneous classical fluids is presented using the density-functional Taylor expansion of an effective density that is introduced to describe the intrinsic excess free-energy functional. The first-order density expansion of the effective density around the uniform bulk density provides the same intrinsic excess chemical potential as the weighted density-functional approach proposed by Patra and Ghosh [J. Chem. Phys. 116 (2002) 8509]. The density-expansion coefficient is determined in a self-consistent manner by using Percus' relation between the pair correlation function and the density distribution function. The pair correlation functions for hard-sphere (HS) and Lennard-Jones (LJ) fluids as well as one-component plasma obtained from the self-consistent DFT are compared with the simulation results. The DFT with the self-consistent expansion coefficient is applied to calculate density distribution functions for the inhomogeneous fluids, interacting via the HS and LJ potentials, under external fields such as confinement in several geometries.

Journal

  • Journal of the Physical Society of Japan

    Journal of the Physical Society of Japan 77(3), "34605-1"-"34605-8", 2008-03-15

    The Physical Society of Japan (JPS)

References:  34

  • <no title>

    EVANS R.

    Fundamentals of Inhomogeneous Fluids, 1992

    Cited by (1)

  • <no title>

    TANG Y.

    Phys. Rev. E 70, 011201, 2004

    Cited by (1)

  • <no title>

    KIM S.-C.

    J. Chem. Phys. 104, 7233, 1996

    Cited by (1)

  • <no title>

    SUMI T.

    J. Chem. Phys. 125, 194526, 2006

    Cited by (1)

  • <no title>

    PERCUS J. K.

    Phys. Rev. Lett. 8, 462, 1962

    Cited by (1)

  • <no title>

    PERCUS J. K.

    The Equilibrium Theory of Classical Fluids, 1964

    Cited by (1)

  • <no title>

    HANSEN J. P.

    Theory of Simple Liquids, 1984

    Cited by (1)

  • <no title>

    STRINGFELLOW G. S.

    Strongly Coupled Plasma Physics, 1989

    Cited by (1)

  • <no title>

    TARAZONA P.

    Phys. Rev. A 31, 2672-2679, 1985

    Cited by (2)

  • <no title>

    CURTIN W. A.

    Phys. Rev. A 32, 2909, 1985

    Cited by (1)

  • <no title>

    DENTON A. R.

    Phys. Rev. A 39, 426, 1989

    Cited by (1)

  • <no title>

    KROLL D. M.

    Phys. Rev. A 42, 4806, 1990

    Cited by (1)

  • <no title>

    DENTON A. R.

    Phys. Rev. A 44, 1219, 1991

    Cited by (1)

  • <no title>

    PATRA C. N.

    J. Chem. Phys. 116, 8509, 2002

    Cited by (1)

  • <no title>

    PATRA C. N.

    J. Chem. Phys. 116, 9845, 2002

    Cited by (1)

  • <no title>

    PATRA C. N.

    J. Chem. Phys. 118, 8326, 2003

    Cited by (1)

  • <no title>

    ROSENFELD Y.

    Phys. Rev. Lett. 63, 980, 1989

    Cited by (1)

  • <no title>

    ROSENFELD Y.

    J. Chem. Phys. 92, 6818, 1990

    Cited by (1)

  • <no title>

    KIERLIK E.

    Phys. Rev. A 42, 3382, 1990

    Cited by (1)

  • <no title>

    ROTH R.

    J. Phys. : Condens. Matter 14, 12063, 2002

    Cited by (1)

  • <no title>

    YU Y.-X.

    J. Chem. Phys. 117, 10156, 2002

    Cited by (1)

  • <no title>

    DENTON A. R.

    Phys. Rev. A 39, 4701, 1989

    Cited by (1)

  • <no title>

    LIKOS C. N.

    Phys. Rev. Lett. 69, 316, 1992

    Cited by (1)

  • <no title>

    LEIDL R.

    J. Chem. Phys. 98, 4142, 1993

    Cited by (1)

  • <no title>

    STRINGFELLOW G. S.

    Phys. Rev. A 41, 1105, 1990

    Cited by (1)

  • <no title>

    GROOT R. D.

    J. Chem. Phys. 87, 2263, 1987

    Cited by (1)

  • <no title>

    GROOT R. D.

    Mol. Phys. 62, 861, 1987

    Cited by (1)

  • <no title>

    REATTO L.

    Phys. Rev. A 33, 3451, 1986

    Cited by (3)

  • <no title>

    MAGDA J. J.

    J. Chem. Phys. 83, 1888, 1985

    Cited by (1)

  • <no title>

    WALTON J. P. R. B.

    Chem. Phys. Lett. 129, 382, 1986

    Cited by (1)

  • <no title>

    KIERLIK E.

    Phys. Rev. A 44, 5025, 1991

    Cited by (1)

  • <no title>

    IYETOMI H.

    Phys. Rev. A 46, 1051, 1992

    DOI  Cited by (2)

  • <no title>

    BARRAT J. L.

    Mol. Phys. 63, 747, 1988

    Cited by (1)

  • Nonlocal Exchange-Correlation Potential for Inhomogeneous Electron Gas and Quantum Fluids

    CHIHARA J. , Japan Atomic Energy Research Institute

    Progress of Theoretical Physics 59(4), p1085-1100, 1978-04

    DOI  Cited by (1)

Codes

  • NII Article ID (NAID)
    110006633479
  • NII NACSIS-CAT ID (NCID)
    AA00704814
  • Text Lang
    ENG
  • Article Type
    ART
  • ISSN
    00319015
  • NDL Article ID
    9421715
  • NDL Source Classification
    ZM35(科学技術--物理学)
  • NDL Call No.
    Z53-A404
  • Data Source
    CJP  NDL  NII-ELS 
Page Top