VIRIAL COEFFICIENTS FOR THE HARD GAUSSIAN OVERLAP MODEL

Abstract

Monte Carlo estimates of virial coefficients up to the sixth for the Hard Gaussian Overlap (HGO) model are presented for values of the aspect ratio parameter κ of the model ranging from 0.05 to 10. The sixth coefficients are new and the lower coefficients are improvements on previous numerical estimates. The second virials are found to be in excellent agreement with an analytical integration reported in the literature. Padé (3, 3) approximations to the pressure and residual Helmholtz energy were constructed. Attempts to represent coefficients in these approximations by analytical functions of κ were not successful due to singularities in these functions. In the approximate range of 4.5≤κ≤ 5.5, the (3, 3) Padé approximations were found to be no better than lower ones. Comparisons with available Monte Carlo simulated pressures for moderately aspherical fluids were found to be good.