Transport coefficients of simple fluids with steeply repulsive potentials

Abstract

We calculate the transport coefficients of steeply repulsive inverse power, r-n, potential fluids using the Green-Kubo time correlation function method. We have explored the effect of potential steepness on the transport coefficients of these model fluids as they approach the hard-sphere limit. We have found that, even with an inverse power potential index, n=144, there are still noticeable differences in some of the properties when compared with the hard-sphere fluid at the same number density. The compressibility factor, shear viscosity and thermal conductivity are some 5-10% lower than the hard-sphere value, although the self-diffusion agrees well with the hard-sphere value for n>72.