Fluid Phase Equilibria, Vol.178, No.1-2, 45-71, 2001
Comparison of perturbation theory and mean spherical approximation for polar fluids and ion-dipole mixtures based on molecular simulation data
A comprehensive study on various internal energies, pressures and chemical potentials for the pure dipolar hard sphere fluids, pure Stockmayer fluids, the Lennard-Jones and Stockmayer mixtures, the Stockmayer and Stockmayer mixtures and the ion-dipole mixtures is reported based on the perturbation theory (PT) and mean spherical approximation (MSA). Compared with the results of molecular simulations, it is shown that the PT is superior to MSA in most cases.
Keywords:perturbation theory;mean spherical approximation;molecular simulation;internal energies;pressures;chemical potentials