COMPUTATION OF THE CHEMICAL-POTENTIAL IN HIGH-DENSITY FLUIDS BY A MONTE-CARLO METHOD

A method reported previously for obtaining the residual chemical poten tial (the amount by which the chemical potential exceeds that for the ideal fluid) based on the use of the Shing-Gubbins method in conjuncti on with an estimation of the value of the chemical potential of a rela ted hard core model is applied to very dense Lennard-Jones fluid syste ms at two reduced temperatures (T = 1.2 and 1.0, where T* = kT/epsilo n). 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 (rho* = rho sigma(3)) of 0.95. It is shown that the limit of the range of the present method is probably p approximate to 1.0.