Quadrupolar hard Gaussian-overlap fluid

Abstract

Monte Carlo simulations are performed for a system of hard Gaussian-overlap molecules with embedded permanent quadrupole moment. Two shapes of the hard bodies are considered, with characteristic parameter k = 1·792 and 2·2 and three values of the quadrupole moment. The results obtained for the residual internal energy, Helmholtz function and compressibility factor at three densities for k = 1·792 and one density for k = 2·2 are used to test the recently proposed perturbation theory of polar non-spherical-molecule fluids.