宽井方井流体的直接关联函数:一阶平均球近似
Direct correlation function of square well fluid with wide well: First order mean spherical approximation
摘要:
最近由Tang(Y.Tang,J.Chem.Phys.127,164504(2007))在一阶平均球近似下获得的方阱流体直接关联函数(DCF)的解析表达式被扩展到更宽的阱宽度(2<λ <3)。将理论计算得到的λ =2.1和λ =2.5的方阱流体的直接关联函数和径向分布函数与相应的蒙特卡罗模拟结果进行了比较。
英文摘要:
An analytical expression for square-well fluid direct correlation function (DCF) obtained recently by Tang (Y.Tang, J. Chem. Phys. 127, 164504 (2007)) in the first-order mean spherical approximation is extended for wider well widths (2<lambda<3). Theoretically obtained direct correlation functions and radial distribution functions for square-well fluid with lambda=2.1 and lambda=2.5 are compared with corresponding results of Monte-Carlo simulation.
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