A comprehensive approach to an equation of state for hard spheres and Lennard Jones fluids

作     者：S.B.Khasare 

作者机构：90New Jagruti Colony Katol Road NagpurIndia 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2011年第20卷第8期

页      面：271-278页

核心收录：

学科分类：080701[工学-工程热物理] 08[工学] 0807[工学-动力工程及工程热物理] 0805[工学-材料科学与工程（可授工学、理学学位）] 0704[理学-天文学] 

主　　题：equation of state Lennard-Jones potential hard-sphere potential computer algebra,computer simulation 

摘      要：We present a simple method of obtaining various equations of state for hard sphere fluid in a simple unifying way. We will guess equations of state by using suitable axiomatic functional forms （n = 1, 2, 3, 4, 5） for surface tension Sn （r）, r≥ d/2 with intermolecular separation r as a variable, where m is an arbitrary real number （pole）. Among the equations of state obtained in this way are Percus-Yevick, scaled particle theory and Carnahan-Starling equations of state. In addition, we have found a simple equation of state for the hard sphere fluid in the region that represents the simulation data accurately. It is found that for both hard sphere fluids as well as Lennard-Jones fluids, with m = 3/4 the derived equation of state （EOS） gives results which are in good agreement with computer simulation results. Furthermore, this equation of state gives the Percus-Yevick （pressure） EOS for the m = 0, the Carnahan-Starling EOS for rn = 4/5, while for the value of m = 1 it corresponds to a scaled particle theory EOS.