Computation of the chemical potential in high density fluids by a Monte Carlo method

摘要

A method reported previously for obtaining the residual chemical potential (the amount by which the chemical potential exceeds that for the ideal fluid) based on the use of the Shing-Gubbins method in conjunction with an estimation of the value of the chemical potential of a related hard core model is applied to very dense Lennard-Jones fluid systems at two reduced temperatures (T~* = 1.2 and 1.0, where T~* = kT/ε).Convergence to steady values is obtained economically. Results are shown to be in good accord with previously reported determinations at T~* = 1.2 up to reduced densities (ρ~* = ρσ~3) of 0.95. It is shown that the limit of the range of the present method is probably ρ~* ≈ 1.0.