The role of concavo-convex walls of a nanopore on the density profile, adsorption, solvation force, and capillary condensation of confined fluids: A DFT study

Abstract

We investigate the effects of concavo-convex walls of a nanopore on the structure and certain thermodynamic properties of confined fluids. Adsorption, solvation force, and capillary condensation in a nanopore formed between two homocentric spheres will be determined using the MFMT. For hard sphere fluids, contact density is greater at the concave wall than it is at the convex wall. In Yukawa fluids, for the thermodynamic state in which the energy effect is the dominant factor, contact density at a concave wall is less than that at a convex wall; this will be reversed for the thermodynamic state in which the entropy effect is the dominant factor. It is possible to find thermodynamic states in which contact densities at concave and convex walls become identical. The adsorption and solvation force of hard sphere fluid show an oscillatory behavior versus H. Capillary condensation is in certain cases observed for Yukawa fluids.