Improved radial distribution functions for Coulomb charged fluid based on first-order mean spherical approximation.
In this work, we solve the Ornstein-Zernike equation in a simple, analytical, and consistent manner to obtain the like and unlike radial distribution functions (RDFs) for charged fluids. To improve mean spherical approximation (MSA) solutions, the direct correlation functions both for the density and charge contributions are modified with the Yukawa potential, respectively. On the basis of the contact values of RDFs and excess internal energy of the system, we construct correlated equations to cope with the potential parameters. Thus obtained equations are solved with the first-order MSA method. The resulting like and unlike RDFs are in good agreement with molecular simulation data within a wide range of densities and temperatures.
Department of Mathematics and Computer Science, College of Science, Beijing University of Chemical Technology, Beijing 100029, China.
Qinzhi
Q
Xu
Kaisu
K
Wu
Jianguo
J
Mi
Congli
C
Zhong