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Analytic Results for Yukawa Associating Systems

, , and (Eds.) Abstract Book of the XXIII IUPAP International Conference on Statistical Physics, Genova, Italy, (9-13 July 2007)

Abstract

We investigate the multi-Yukawa closure of the general Ornstein Zernike equation, which may include a) Polydisperse hard spheres with or without charges, which could be an analytical model of colloidal systems. (Mol. Phys. 105, 3801, (2006)) b) Flexible chains of charged spheres. c) Rigid structures such as pores and rings which may serve as models for ionic channels. (Mol. Phys. 103, 3201, (2005)) The new feature of our current solution is that the factorization of the closure is no longer used, which reduces the size of the scaling problem, but at the same time complicates the analytical solution. As in the past (J. Chem. Phys. 60, 3378 (1974), a variational solution can be used for this task. The new theory, the extended soft mean spherical approximation (ESMSA) interpolates between known asymptotic relations for the pair correlation function (J. Phys. Cond. Matter., \bf 18, S 2437 (2006)). The solutions are obtained in terms of a reduced set of matrices $\Gamma_\chi$ which contain information about the structure and thermodynamics of our system. The standard way of doing this is the of solution of the multi-yukawa closure of the Ornstein Zernike for various fluid systems of spherical and also non-spherical objects ( including polyelectrolytes and water). The solution given in terms of $\bf\Gamma_\chi$, which are obtained using the symmetry of the distribution functions of the problem. Analytical expressions for the pair distribution functions are derived, and some applications will be presented. We may obtain the matrices $\bf\Gamma_\chi$ from a variational ansatz which is also equivalent to the more laborious analytical method, and satisfies the same asymptotic limits. Comparison of theory and Monte-Carlo simulations for a several systems indicate that this theory is very accurate for such diverse systems as polyelectrolytes, ion channels and colloidal systems.

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