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Title: Two-Yukawa fluid at a hard wall: Field theory treatment

We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. The results obtained are compared to computer simulation data.
Authors:
; ;  [1] ;  [2]
  1. Institute for Condensed Matter Physics, National Academy of Sciences, 1 Svientsitskii St., 79011 Lviv (Ukraine)
  2. Institute of Research of Chimie Paris, CNRS-Chimie ParisTech, 11 rue Pierre et Marie Curie, 75005 Paris (France)
Publication Date:
OSTI Identifier:
22415810
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 142; Journal Issue: 19; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; ADSORPTION; APPROXIMATIONS; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CORRELATION FUNCTIONS; DENSITY; FIELD EQUATIONS; FIELD THEORIES; FLUCTUATIONS; FLUIDS; FREE ENERGY; MEAN-FIELD THEORY; THERMODYNAMICS