TITLE

Analysis of the Henderson–Abraham–Barker equation in the case of a polar liquid near a neutral hard wall

AUTHOR(S)
Badiali, J. P.; Russier, V.; Holovko, M. E.
PUB. DATE
November 1993
SOURCE
Journal of Chemical Physics;11/15/1993, Vol. 99 Issue 10, p8051
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
The physical content of the wall–particle direct correlation function cw(1), defined from the Ornstein–Zernike equation in the framework of the Henderson–Abraham–Barker approach, is analyzed in the case of a dipolar-hard-sphere fluid near a pure and dielectric neutral wall. The exact asymptotic behavior of cw(1) is established and we show that it is not related to simple physical concepts as, e.g., the image potential. We show that the exact Henderson–Abraham–Barker equation introduces some bridge diagrams which are more simple graphs in another approach. Due to this fact, at least for systems with long range interactions, it is misleading to use the usual closures of the theory of homogeneous liquids for cw(1). In the case of a dielectric wall, we emphasize that the diagrammatic structure of cw(1) requires the introduction of a three-body Mayer function. The dipolar-hard-sphere liquid is a good candidate for analyzing cw(1) because some exact results are known and related to simple electrostatic effects; however, the present results are not restricted to this system.
ACCESSION #
7645027

 

Related Articles

  • Crystal nucleation and growth from the undercooled liquid: A nonclassical piecewise parabolic free-energy model. Bagdassarian, Carey K.; Oxtoby, David W. // Journal of Chemical Physics;2/1/1994, Vol. 100 Issue 3, p2139 

    An undercooled liquid exhibits crystalline fluctuations, some of which grow into crystal of macroscopic dimension, while smaller fluctuations disappear. We present a model which allows for exact analytic characterization of the inhomogeneous critical nucleus, the smallest fluctuation which will...

  • Relaxation of Multiwell Energies in Linearized Elasticity and Applications to Nematic Elastomers. Cesana, Pierluigi // Archive for Rational Mechanics & Analysis;Sep2010, Vol. 197 Issue 3, p903 

    The relaxation of a free-energy functional which describes the order�strain interaction in nematic elastomers is obtained explicitly. We work in the regime of small strains (linearized kinematics). Adopting the uniaxial order tensor theory (Frank model) to describe the liquid crystal order,...

  • Determination of orientational correlation functions in ordered fluids: Raman scattering. Kirov, N.; Dozov, I.; Fontana, M. P. // Journal of Chemical Physics;11/15/1985, Vol. 83 Issue 10, p5267 

    Fourier band shape analysis is applied to obtain the reorientation time correlation functions in the short time limit from the Raman spectra of some ordered nematic liquid crystals. New equations for the simultaneous determination of the static order parameters and , and the tumbling...

  • Calculation of solid-fluid phase equilibria for systems of chain molecules. Polson, James M.; Frenkel, Daan // Journal of Chemical Physics;7/1/1998, Vol. 109 Issue 1, p318 

    Investigates the first order solid-fluid phase of a system of semi-flexible Lennar-Jones chains using molecular dynamics simulations. Calculation of the free energy of the solid and fluid phases; Analysis of the complete melting curve from the free energy calculations; Effects of chain...

  • Development of reference states for use in absolute free energy calculations of atomic clusters with application to 55-atom Lennard-Jones clusters in the solid and liquid states. Amon, L. M.; Amon, L.M.; Reinhardt, W. P.; Reinhardt, P. // Journal of Chemical Physics;9/1/2000, Vol. 113 Issue 9 

    In this paper four reference states allowing computation of the absolute internal free energies of solid and liquid clusters are introduced and implemented. Three of these are introduced for the first time. Two of these references are useful for highly fluctional liquidlike clusters while the...

  • On thermodynamics of supercooled liquids and glasses. Bakai, A.S. // Low Temperature Physics;Jan1998, Vol. 24 Issue 1, p20 

    Focuses on the thermodynamics of glass-forming liquids and glasses. Contribution of heterophase fluctuations to the free energy; Role of heterophase fluctuations in liquids and glasses; Significance of the nuclei of noncrystalline solids and the liquid phase nuclei on the heterophase...

  • Behavior of collective time correlation functions in liquids composed of polyatomic molecules. Luo, H.; Hoheisel, C. // Journal of Chemical Physics;6/15/1991, Vol. 94 Issue 12, p8378 

    Recent molecular dynamics (MD) calculations for molecular liquids showed that the time correlation functions (TCFs) for thermal transport coefficients have a characteristic ‘‘chair form.’’ For dense liquid states, a weak positive branch of the TCFs of the shear and the...

  • Solvent-mediated interactions and solvation close to fluid–fluid phase separation: A density functional treatment. Archer, A. J.; Evans, R. // Journal of Chemical Physics;6/1/2003, Vol. 118 Issue 21, p9726 

    We apply a general density functional approach for calculating the force between two big particles immersed in a solvent of smaller ones to calculate the solvent-mediated (SM) potential between two big Gaussian core particles in a binary mixture of smaller Gaussian particles, a simple model of...

  • Electric multipole moment fluctuations in polar liquids. Stenhammar, Joakim; Linse, Per; Malmqvist, Per-Åke; Karlström, Gunnar // Journal of Chemical Physics;3/28/2009, Vol. 130 Issue 12, p124521 

    A general expression for the distribution of the fluctuating 2â„“-pole moment Mâ„“ of a spherical sample of dielectric material is derived on the basis of dielectric theory combined with statistical mechanics. The formulas are compared with results from computer simulations of a weakly...

Share

Read the Article

Courtesy of VIRGINIA BEACH PUBLIC LIBRARY AND SYSTEM

Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics