Journal of Chemical Physics, Vol.115, No.2, 617-620, 2001
Solute-solute potential of mean force in supercritical solvents: A nonlocal integral equation study
We employ Monte Carlo simulations and two versions of integral equation theory to study the potential of mean force between two dilute solutes in a supercritical solvent. The nonlocal integral equation theory is shown to be far superior compared to its homogeneous counterpart. Important differences in the behavior of the potential of mean force between medium and high density solvents are pointed out.