Density profiles of Ar adsorbed in slits of CO_2: spontaneous symmetry breaking

TL;DR

This study uses nonlocal density functional theory to analyze symmetry breaking in argon density profiles confined between CO2 walls, revealing that asymmetrical solutions depend on specific adsorption potential conditions.

Contribution

It demonstrates that symmetry breaking in argon confined in CO2 slits occurs only under particular adsorption potential modifications, advancing understanding of fluid behavior in confined geometries.

Findings

Symmetry breaking depends on reduced solid-fluid attraction.

Asymmetrical profiles are restricted to specific potential conditions.

Behavior varies with slit width.

Abstract

A recently reported symmetry breaking of density profiles of fluid argon confined by two parallel solid walls of carbon dioxide is studied. The calculations are performed in the framework of a nonlocal density functional theory. It is shown that the existence of such asymmetrical solutions is restricted to a special choice for the adsorption potential, where the attraction of the solid-fluid interaction is reduced by the introduction of a hard-wall repulsion. The behavior as a function of the slit's width is also discussed. All the results are placed in the context of the current knowledge on this matter.