The equation of state of a system of hard spherocylinders

Publisher Website
Google Scholar
Abstract
Using the Monte Carlo method, we have computed the equation of state of a system of hard spherocylinders (cylinders with a hemisphere at each end), of length-to-breadth ratio equal to 3, in the isotropic liquid phase. We obtain a pressure slightly smaller than that predicted by the scaled-particle theory (SPT). The SPT predicts a liquid to nematic transition when the density is increased; we have observed that the isotropic liquid phase is stable up to densities significantly higher than the SPT transition density. Using the free-volume theory, we have also determined the behaviour of the pressure at very high densities, for any value of the length-to-breadth ratio γ. Moreover, we have shown that the packing fraction (number density times the volume of one spherocylinder) corresponding to the beginning of the fusion of the solid is an increasing function of γ.

This publication has 24 references indexed in Scilit: