Analytical static structure factors for the restricted primitive model

G.A. Méndez-Maldonado, H. Ruiz-Estrada, M. González-Melchor, J.F. Rivas-Silva and J. Nieto-Frausto

Physica A: Statistical Mechanics and its Applications, 2012, vol. 391, issue 4, 1759-1769

Abstract: The mean static structure for the restricted primitive model formed by m ionic species is presented. Explicit expressions for the partial static structure factors are obtained from the Blum’s solution for the primitive model, which depend on an accumulative parameter, γ, expressed in terms of the Debye length. Additionally, the number–number, number–charge and charge–charge structure factors are provided. An equation to calculate the radial distribution functions which tends to the contact values when r→σ+ is also given. Finally, molecular dynamics simulation is performed to assess the accuracy of the theoretical results.

Keywords: Restricted primitive model; Static structure factors; Ornstein–Zernike equations; Mean spherical approximation; Molecular dynamics simulation (search for similar items in EconPapers)
Date: 2012
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:391:y:2012:i:4:p:1759-1769

DOI: 10.1016/j.physa.2011.11.010

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