ABSTRACT Extensive Monte Carlo simulations have been performed to obtain the thermodynamic properties of binary square-well mixtures for different compositions, well depths, hard-core diameter ratios and temperatures. They are used in combination with a one-fluid theory based on perturbation theory to analyse the performance of several mixing rules proposed in the literature. A new density- and temperature-dependent mixing rule is proposed. The new mixing rule provides better agreement with simulations than those previously proposed, especially for very asymmetric mixtures.

中文翻译：

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方井混合物重新审视：计算机模拟、混合规则和单一流体理论

摘要 已经进行了广泛的蒙特卡罗模拟，以获得不同成分、井深、硬核直径比和温度的二元方井混合物的热力学特性。它们与基于微扰理论的单流体理论结合使用，以分析文献中提出的几种混合规则的性能。提出了一种新的密度和温度相关混合规则。新的混合规则提供了比以前提出的更好的模拟一致性，特别是对于非常不对称的混合物。