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具有宽排斥范围的吸引性各向同性势的液-液相转变

Liquid-liquid phase transition for an attractive isotropic potential with wide repulsive range.

作者信息

Malescio Gianpietro, Franzese Giancarlo, Skibinsky Anna, Buldyrev Sergey V, Stanley H Eugene

机构信息

Dipartimento di Fisica, Università di Messina and Istituto Nazionale Fisica della Materia, 98166 Messina, Italy.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2005 Jun;71(6 Pt 1):061504. doi: 10.1103/PhysRevE.71.061504. Epub 2005 Jun 17.

Abstract

We investigate how the phase diagram of a repulsive soft-core attractive potential, with a liquid-liquid phase transition in addition to the standard gas-liquid phase transition, changes by varying the parameters of the potential. We extend our previous work on short soft-core ranges to the case of large soft-core ranges, by using an integral equation approach in the hypernetted-chain approximation. We show, using a modified van der Waals equation we recently introduced, that if there is a balance between the attractive and repulsive part of the potential this potential has two fluid-fluid critical points well separated in temperature and in density. This implies that for the repulsive (attractive) energy U(R)(U(A)) and the repulsive (attractive) range w(R)(w(A)) the relation U(R)/U(A) proportional to w(R)/w(A) holds for short soft-core ranges, while U(R)/U(A) proportional to 3w(R)/w(A) holds for large soft-core ranges.

摘要

我们研究了一种排斥性软核吸引势的相图如何通过改变势参数而发生变化,该势除了标准的气液相变外还存在液-液相变。我们通过在超网链近似下使用积分方程方法,将之前关于短软核范围的工作扩展到了长软核范围的情况。我们使用最近引入的修正范德瓦尔斯方程表明,如果势的吸引部分和排斥部分之间存在平衡,那么该势在温度和密度上有两个相距甚远的流体-流体临界点。这意味着,对于排斥(吸引)能量U(R)(U(A))和排斥(吸引)范围w(R)(w(A)),在短软核范围内U(R)/U(A) ∝ w(R)/w(A)成立,而在长软核范围内U(R)/U(A) ∝ 3w(R)/w(A)成立。

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