An explicit expression for the static structure factor for a multi-Yukawa fluid: the one-component case |
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Authors: | Ó. Vázquez-Rodríguez H. Ruiz-Estrada |
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Affiliation: | 1. Facultad de Ingeniería, Benemérita Universidad Autónoma de Puebla, Puebla, México;2. Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Puebla, Méxicotelaker27@gmail.com;4. Facultad de Ciencias Físico Matemáticas, Benemérita Universidad Autónoma de Puebla, Puebla, México |
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Abstract: | By using the mean spherical approximation, we obtain an analytical expression for the static structure factor (SSF) for a monodisperse system of particles interacting through a potential given by a hard-sphere contribution and M Yukawa terms. This expression depends on scaling matrix Γ, which is determined by solving a set of nonlinear equations. Our theoretical results show that using three Yukawa terms in the closure relation greatly improves the accuracy when compared with hypernetted-chain closure and Monte Carlo simulation data, which display a secondary low-k peak in the SSF, due to the formation of an intermediate range order structure governed by a short-range attraction and a long-range repulsion. We discuss the appearance of such a peak in terms of the microstructure order given by the radial distribution function. Following the original proposal made by Waisman (Mol Phys. 1973; 25:45–48), we give an explicit expression that improves the structural properties of a hard-sphere system. |
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Keywords: | Multi-Yukawa fluid mean spherical approximation (MSA) static structure factor radial distribution function potential short-range attraction and long-range repulsion intermediate range order (IRO) structure |
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