Journal ArticleDOI
Ornstein–Zernike Relation and Percus–Yevick Approximation for Fluid Mixtures
TLDR
In this paper, a transformation of the Ornstein-Zernike relation for fluid mixtures is derived which involves the direct and indirect correlation functions only over the ranges within which the former are nonzero.Abstract:
A transformation of the Ornstein–Zernike relation for fluid mixtures is derived which involves the direct and indirect correlation functions only over the ranges within which the former are nonzero. Also, two closed expressions for the compressibility pressure in the Percus–Yevick (PY) approximation for mixtures are presented. The analytic solution of the PY approximation for mixtures of hard spheres follows immediately, and it is expected that the results should be of use in numerical calculations for systems with short‐range forces, where the direct correlation functions normally tend rapidly to zero with increasing particle separation.read more
Citations
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Journal ArticleDOI
Potential of Mean Force Calculations of Solute Permeation Across UT-B and AQP1: A Comparison between Molecular Dynamics and 3D-RISM.
Igor Ariz-Extreme,Jochen S. Hub +1 more
TL;DR: Current 3D-RISM solvers provide reasonable estimates for the PMF for water permeation, but that they are not suitable to study the selectivity of membrane channels with respect to uncharged nonwater solutes.
Journal ArticleDOI
Structure of Liquid Sulfur Through Polymer Percus-Yevick Theory
Yurko Duda,Myroslav Holovko +1 more
TL;DR: In this article, the static structure factor for liquid sulfur is calculated via an analytical solution of the Polymer Percus-Yevick (PPY) equation using the fused hard sphere polyatomic model.
Journal ArticleDOI
Evolutionary behaviour of miniemulsion phases: I. Hard sphere interaction and bound water on miniemulsion droplets
TL;DR: In this paper, the interaction between nano sphere droplets in translucent oil in water (O/W) emulsion phases, so-called miniemulsion phases was investigated by using light scattering measurement techniques.
Journal ArticleDOI
Mean spherical approximation for an arbitrary mixture of ions with surface adhesion in a neutralizing background
TL;DR: In this article, the mean spherical approximation for a multicomponent mixture of charged hard spheres with sticky interactions in a uniform neutralizing background is solved analytically, and the correlation functions and the excess thermodynamics properties are explicitly expressed through a single parameter Γ, which can be obtained by solving an algebraic equation.
References
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Journal ArticleDOI
Thermodynamic Properties of Mixtures of Hard Spheres
TL;DR: In this article, the authors investigated the thermodynamic properties of a binary mixture of hard spheres by using the recently obtained exact solution of the generalized equations of Percus and Yevick for the radial distribution functions of such a mixture.
Journal ArticleDOI
Approximation Methods in Classical Statistical Mechanics
TL;DR: In this paper, the pair distribution function for a classical fluid in thermal equilibrium is found to be more closely approximated by the Percus and Yevick (Phys. Rev., 110: 1(1958)) approximation than by the Bogoliubov-Born-Green- Kirkwood-Yvon (B.G.K.H.) approximation or the hypernetted chain approximation.
Journal ArticleDOI
Ornstein-Zernike relation for a disordered fluid
TL;DR: In this paper, it was shown that if the direct correlation function c(r) vanishes beyond a range R, then a third function Q(r), which is related to c and h (r) by equations that involve the functions only over the range (O,R), can be introduced.
Journal ArticleDOI
A New Approach to the Theory of Classical Fluids. I
Tohru Morita,Kazuo Hiroike +1 more
TL;DR: In this article, an exact integral equation for the pair distribution function is found for the Helmholtz free energy and the integral equation can be derived also by means of a variational principle from the expression for the free energy.
Journal ArticleDOI
Percus‐Yevick Equation Applied to a Lennard‐Jones Fluid
TL;DR: An efficient method of solving the Percus-Yevick and related equations is described in this paper, where the method is applied to a Lennard-Jones fluid, and the solutions obtained are discussed.