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

被引:7
|
作者
Kravtsiv, I. [1 ]
Patsahan, T. [1 ]
Holovko, M. [1 ]
di Caprio, D. [2 ]
机构
[1] Natl Acad Sci Ukraine, Inst Condensed Matter Phys, UA-79011 Lvov, Ukraine
[2] CNRS Chim ParisTech, Inst Res Chim Paris, F-75005 Paris, France
来源
JOURNAL OF CHEMICAL PHYSICS | 2015年 / 142卷 / 19期
关键词
MONTE-CARLO-SIMULATION; BOVINE SERUM-ALBUMIN; ORNSTEIN-ZERNIKE EQUATION; YUKAWA FLUID; SLITLIKE PORE; IONIC SYSTEMS; OF-STATE; ADSORPTION; SPHERES; PREDICTION;
D O I
10.1063/1.4921242
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
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. (C) 2015 AIP Publishing LLC.
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页数:14
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