Monte Carlo simulation of rod-like molecules. A test of perturbation theory for the Kihara model

Abstract

We report a Monte Carlo study of fluids of linear, rod like molecules interacting either through a Kihara potential, or its soft repulsive potential counterpart. The internal energy, equation of state and a number of static correlation functions were obtained from the simulation. We compare the MC results with the predictions based on a perturbation theory due to Boublik