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Analytic solutions for Baxter's model of sticky hard sphere fluids within closures different from the Percus_Yevick approximation

机译:Baxter粘性硬球液体模型的解析解   在闭包内不同于percus_Yevick近似值

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摘要

We discuss structural and thermodynamical properties of Baxter's adhesivehard sphere model within a class of closures which includes the Percus-Yevick(PY) one. The common feature of all these closures is to have a directcorrelation function vanishing beyond a certain range, each closure beingidentified by a different approximation within the original square-well region.This allows a common analytical solution of the Ornstein-Zernike integralequation, with the cavity function playing a privileged role. A carefulanalytical treatment of the equation of state is reported. Numerical comparisonwith Monte Carlo simulations shows that the PY approximation lies betweensimpler closures, which may yield less accurate predictions but are easilyextensible to multi-component fluids, and more sophisticate closures which givemore precise predictions but can hardly be extended to mixtures. In regimestypical for colloidal and protein solutions, however, it is found that theperturbative closures, even when limited to first-order, produce satisfactoryresults.
机译:我们在包括Percus-Yevick(PY)在内的一类封闭件中讨论了Baxter粘性硬球模型的结构和热力学性质。所有这些闭合的共同特征是具有超过一定范围的直接相关函数,每个闭合在原始方孔区域内通过不同的近似来标识,这使得可以对带有腔的Ornstein-Zernike积分方程进行通用的解析解。功能发挥特权作用。报告了对状态方程的仔细分析处理。与蒙特卡洛模拟的数值比较表明,PY近似值介于简单的闭合之间,这可能会产生较不精确的预测,但易于扩展到多组分流体,而复杂的闭合则可以给出更精确的预测,但几乎不能扩展到混合物。然而,在胶体和蛋白质溶液的典型配方中,发现即使是一阶的微扰闭合也能产生令人满意的结果。

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