多分散Morse硬球混合物相行为的二阶Barker-Henderson微扰理论
Second-order Barker-Henderson perturbation theory for the phase behavior of polydisperse Morse hard-sphere mixture
摘要：
本文将二阶Barker-Henderson微扰理论推广到多分散硬球多Morse混合物。为了验证理论的准确性，我们比较了它的预测单分散系统的极限情况下，非常准确的参考超网链近似的预测。该理论用于描述不同类型、不同多分散度的混合物的液-气相行为。除了常规的液-气临界点外，我们还观察到由多分散性引起的第二临界点的出现。随着多分散性的增加，两个临界点合并并最终消失。相应的云和阴影曲线由闭合曲线表示，其中对于较高的多分散性值，云曲线的“液体”和“气体”分支几乎重合。随着多分散性的进一步增加，云和阴影曲线收缩并最终消失。我们的研究结果与以前的研究结果进行了定性范德华水平的描述。
英文摘要：
We propose an extension of the second-order Barker-Henderson perturbation theory for polydisperse hard-sphere multi-Morse mixture. To verify the accuracy of the theory, we compare its predictions for the limiting case of monodisperse system, with predictions of the very accurate reference hypernetted chain approximation. The theory is used to describe the liquid-gas phase behavior of the mixture with different type and different degree of polydispersity. In addition to the regular liquid-gas critical point, we observe the appearance of the second critical point induced by polydispersity. With polydispersity increase, the two critical points merge and finally disappear. The corresponding cloud and shadow curves are represented by the closed curves with 'liquid' and 'gas' branches of the cloud curve almost coinciding for higher values of polydispersity. With a further increase of polydispersity, the cloud and shadow curves shrink and finally disappear. Our results are in agreement with the results of the previous studies carried out on the qualitative van der Waals level of description.
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