Structure of Lennard–Jones fluid near large spherical particles: further test of the “universality” of adjustable parameter in perturbation density functional theory

A Density Functional Theory with a Mean-field Weight Function: Applications to Surface Tension, Adsorption, and Phase Transition of a Lennard-Jones Fluid in a Slit-like Pore

“…Even though, the MFT is not only quantitatively unreliable but also qualitatively questionable to represent the depletion near a solid surface at low temperatures. This is due to the neglect of structural correlations in the Helmholtz free energy functional. , Attempts have been carried out to include the structural correlations using either perturbative method ,− or weighted density approximation. − Most of them use the two-particle direct correlation function (DCF) of the corresponding bulk fluid, in some cases, along with an approximation to the three-particle DCF as an input . The direct correlation functions are generally obtained from either an analytical or a numerical solution to the Ornstein−Zernike equation with a proper closure such as the mean spherical approximation and the Hypernetted-chain (HNC) closure .…”