Two-Yukawa fluid at a hard wall: Field theory treatment
- 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)
Description
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
Additional details
Identifiers
- DOI
- 10.1063/1.4921242;
Publishing Information
- Journal Title
- Journal of Chemical Physics
- Journal Volume
- 142
- Journal Issue
- 19
- Journal Page Range
- p. 194708-194708.14
- ISSN
- 0021-9606
- CODEN
- JCPSA6
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 46121702
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ADSORPTION; APPROXIMATIONS; COMPARATIVE EVALUATIONS; COMPUTERIZED SIMULATION; CORRELATION FUNCTIONS; DENSITY; FIELD EQUATIONS; FIELD THEORIES; FLUCTUATIONS; FLUIDS; FREE ENERGY; MEAN-FIELD THEORY; THERMODYNAMICS
- Descriptors DEC
- CALCULATION METHODS; ENERGY; EQUATIONS; EVALUATION; FUNCTIONS; PHYSICAL PROPERTIES; SIMULATION; SORPTION; THERMODYNAMIC PROPERTIES; VARIATIONS
Optional Information
- Notes
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