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
Effect of composition changes on the structural relaxation of a binary mixture.
W. Götze,Th. Voigtmann +1 more
TL;DR: Within the mode-coupling theory for idealized glass transitions, the evolution of structural relaxation in binary mixtures of hard spheres with size ratios delta of the two components varying between 0.5 and 1.0 is studied.
Journal ArticleDOI
Solvent reorganization energy of electron-transfer reactions in polar solvents
TL;DR: A microscopic theory of solvent reorganization energy in polar molecular solvents is developed and a good agreement between the analytical procedure and the results of Monte Carlo simulations of model systems is achieved.
Journal ArticleDOI
On the stability of polydisperse colloidal crystals
TL;DR: The formalisme de la fonctionnelle de la densite est applique a l'etude de la stabilite mecanique et thermodynamique de cristaux colloidaux polydisperses as mentioned in this paper.
Journal ArticleDOI
A new solution of the Ornstein–Zernike equation from the perturbation theory
Yiping Tang,Benjamin C.‐Y. Lu +1 more
TL;DR: A general solution of the Ornstein-Zernike (OZ) equation was obtained by combining the perturbation theory with the application of the Hilbert transform as mentioned in this paper, which was based on the Percus-Yevick approximation or the mean spherical approximation for potentials consisting of a hard core and an arbitrary tail function.
Journal ArticleDOI
Binding mean spherical approximation for pairing ions: An exponential approximation and thermodynamics
Olivier Bernard,Lesser Blum +1 more
TL;DR: In this paper, the thermodynamics of mean spherical approximation for an arbitrary mixture of charged hard spheres with sticky point attraction in the Wertheim formalism is derived for the most general case.
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.