Classical Density Functional Theory of Lennard-Jones Fluids: The Weighted-Density Approximation Revisited

through the random phase approximation, valid in this situation. In the second step, various solutes are immersed in the solvent, and the solvent profiles are obtained by minimizing the full functional or equating to zero its gradient. The theory is illustrated here with Lennard-Jones atomic solvents around soft and hard spheres of various sizes, both in supercritical and subcritical conditions. When one approaches the coexistence line from the liquid region, the observed dewetting solvent profiles against cavities match almost perfectly the reference simulation profiles, numerically requiring only a few tens of seconds versus hours.