High density Monte Carlo simulations of chain molecules: Bulk equation of state and density profile near walls

Abstract

We introduce a new Monte Carlo method suitable for simulations of chain molecules over a wide range of densities. Results for the equation of state of chains composed of 4, 8, and 16 freely joined hard spheres are compared with the predictions of several theories. The density profile of the fluid in the vicinity of the wall, and the scaling of the pressure with chain length are also discussed.