用简单的理论状态方程预测了等大小分子二元混合物中液-液不混相的闭环

L. V. Yelash, T. Kraska
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引用次数: 27

摘要

用一个简单的各向同性模型流体发现了二元混合物中几种闭环液-液不混相行为。计算是基于由卡纳汉-斯塔林硬球斥力和范德华引力组成的状态方程。推广到二元混合物是用通常的二次单流体混合规则完成的。结果用van Konynenburg和Scott介绍的全局相图来表示。已经发现了几个闭环相图,类似于十年前Boshkov用Lennard-Jones状态方程发现的那些相图。在各向同性混合物系统中闭环行为的拓扑和物理起源的背景下讨论了这些结果。
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Closed-Loops of liquid-liquid immiscibility in binary mixtures of equal sized molecules predicted with a simple theoretical equation of state

Several types of closed-loop liquid-liquid immiscibility behavior in binary mixtures have been found with a simple isotropic model fluid. The calculations are based on an equation of state composed by the Carnahan-Starling hard sphere repulsion and the van der Waals-attraction. The extension to binary mixtures is accomplished with the usual quadratic one-fluid mixing rules. The results are presented in a global phase diagram as introduced by van Konynenburg and Scott. Several closed-loop phase diagrams similar to those discovered by Boshkov ten years ago with a Lennard-Jones equation of state have been found. The results are discussed in the context of the topological and physical origin of closed-loop behavior in systems of isotropic mixtures.

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