Systems of oblate molecules. Monte Carlo study

Monte Carlo (MC) simulations were performed for systems of hard oblate sphe rocylinders with breadth-to-height ratios phi = 0.5-3.5 and packing fractio ns y = 0.25-0.45 and for Kihara oblate molecule systems of phi = 1 at reduc ed temperatures T* = 0.75 and 1.0 and y = 0.05-0.45. The compression factor s and the dependence of the average correlation functions on the shortest s urface-to-surface distance were determined for the case of hard oblate sphe rocylinders and the compression factors, residual internal energies and ave rage correlation functions for the case of the generalized Kihara molecule systems. In addition, values of the third virial coefficient of the hard ob late spherocylinders were evaluated in the range of phi = 1-3. Results of t he MC simulations for the hard oblate spherocylinders compare well with the available data in the literature and theoretical values; thermodynamic fun ctions of the Kihara molecule systems were determined from the second-order perturbation theory. They agree well with our MC values at lower densities and higher reduced temperatures.