화학공학소재연구정보센터
Chinese Journal of Chemical Engineering, Vol.7, No.1, 10-19, 1999
Comparison of perturbation theory and mean spherical approximation based on molecular simulation data
A comprehensive study on various internal energies for the dipolar hard sphere fluids, including Stockmayer fluids, the mixtures of Lennard-Jones and Stockmayer and Stockmayer fluids and the electrolyte solutions is reported based on the perturbation theory and mean spherical approximation. Compared with the results of molecular simulations, it is shown that the perturbation theory is better than the mean spherical approximation.