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
Phase coexistence in the hard-sphere Yukawa chain fluid with chain length polydispersity: High temperature approximation
S. P. Hlushak,Yu. V. Kalyuzhnyi +1 more
TL;DR: In this paper, the authors used high temperature approximation (HTA) to describe the phase behavior of polydisperse Yukawa hard-sphere chain fluid mixture with chain length polydispersity.
Journal ArticleDOI
Interfacial structure of dimerizing and hard sphere chain fluids in the vicinity of a crystalline surface: effects of a cooperative adsorption
E. V. Vakarin,Myroslav Holovko +1 more
TL;DR: In this article, the density profiles of a hard sphere chain fluid and of dimerizing hard spheres near a crystalline wall represented as a lattice of sticky sites are studied. And the influence of the low-density critical point, caused by the intramolecular correlation in a chain, on the interfacial structure is determined.
Journal ArticleDOI
A two-component fluid mixture of the hard spherocylinders
Mahmood Moradi,R. Khordad +1 more
TL;DR: In this paper, two different approaches are used to calculate the direct correlation functions (DCF) of this kind of fluids, and the obtained correlation functions are compared using these two methods.
Journal ArticleDOI
Total and partial structure factors, compressibility, diffusion coefficients and other associated properties of an Ag-Se semiconducting alloy
R. Venkatesh,R.V.Gopala Rao +1 more
TL;DR: Ashcroft-Langreth partial structure factors were computed using a Lebowitz solution of hard sphere mixtures perturbed by a square well potential as mentioned in this paper, and the potential parameters were obtained from the measured structure factor.
Inverse Statistical Mechanics, Lattice Packings, and Glasses
TL;DR: In this article, the problem of finding the densest lattice packings across Euclidean space dimensions is investigated. But the authors focus on the inverse problem, in which the corresponding ground state is a targeted configuration.
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.