Jiuxun Sun
Department of Applied Physics, University of Electronic Science and Technology, Chengdu 610054, People's Republic of China.
Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Dec;68(6 Pt 1):061503. doi: 10.1103/PhysRevE.68.061503. Epub 2003 Dec 17.
A simple analytic expression with high precision for the radial distribution function of hard spheres is proposed. The form of the expression has been carefully selected to combine the well-known Camahan-Starling equation of state in it and satisfy the limit condition at low density, its simplicity and precision is superior to the well-known Percus-Yevick expression. The coefficients contained in the expression have been determined by fitting the Monte Carlo data for the first coordination shell, and by fitting both the Monte Carlo data and the numerical results of the Percus-Yevick expression for the second coordination shell. The expression has been applied to develop simple analytic equations of state for the hard-core single, double Yukawa fluids, and the hard-core Yukawa mixtures. The comparisons show that the agreement of our model with the computer simulation data is slightly better than the mean spherical approximation and other analytic models.
提出了一种用于硬球径向分布函数的高精度简单解析表达式。该表达式的形式经过精心选择，将著名的卡马汉 - 斯塔林状态方程包含其中，并满足低密度下的极限条件，其简单性和精度优于著名的珀库斯 - 耶维克表达式。表达式中包含的系数通过拟合第一配位层的蒙特卡罗数据确定，对于第二配位层，则通过拟合蒙特卡罗数据和珀库斯 - 耶维克表达式的数值结果来确定。该表达式已被用于推导硬核单、双 Yukawa 流体以及硬核 Yukawa 混合物的简单解析状态方程。比较结果表明，我们的模型与计算机模拟数据的一致性略优于平均球近似和其他解析模型。
