Phase separation of penetrable core mixtures

被引:21
|
作者
Finken, R [1 ]
Hansen, JP [1 ]
Louis, AA [1 ]
机构
[1] Univ Cambridge, Dept Chem, Cambridge CB2 1EW, England
关键词
Gaussian core potential; phase separation; random phase approximation;
D O I
10.1023/A:1022136624854
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
A two-component system of penetrable particles interacting via a gaussian core potential is considered, which may serve as a crude model for binary polymer solutions. The pair structure and thermodynamic properties are calculated within the random phase approximation (RPA) and the hypernetted chain (HNC) integral equation. The analytical RPA predictions are in semi-quantitative agreement with the numerical solutions of the HNC approximation, which itself is very accurate for gaussian core systems. A fluid-fluid phase separation is predicted to occur for a broad range of potential parameters. The pair structure exhibits a nontrivial clustering behaviour of the minority component. Similiar conclusions hold for the related model of parabolic core mixtures, which is frequently used in dissipative particle dynamics (DPD) simulations.
引用
收藏
页码:1015 / 1037
页数:23
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