An explicit expression for the static structure factor for a multi-Yukawa fluid: the one-component case

被引:3
|
作者
Vazquez-Rodriguez, O. [1 ]
Ruiz-Estrada, H. [2 ]
机构
[1] Benemerita Univ Autonoma Puebla, Fac Ingn, Puebla, Mexico
[2] Benemerita Univ Autonoma Puebla, Fac Ciencias Fis Matemat, Puebla, Mexico
关键词
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; ORNSTEIN-ZERNIKE EQUATION; RADIAL-DISTRIBUTION FUNCTION; CONCENTRATED LYSOZYME SOLUTIONS; MEAN SPHERICAL APPROXIMATION; HARD-SPHERES; INTEGRAL-EQUATION; ATTRACTIVE INTERACTIONS; COLLOIDAL SUSPENSIONS; CLUSTER FORMATION; CORE CONDITION;
D O I
10.1080/00319104.2016.1139708
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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 Gamma, 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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页码:632 / 646
页数:15
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