Abstract

The predictions of density functional theory are compared to those obtained from computer simulation for the density profile and the mean density of a supercritical fluid trapped between two parallel walls. A novel modification to the theory is described, which facilitates the comparison by ensuring that the theoretical description of the bulk fluid phase is the same as that of the simulation. Not only is the theory found to be qualitatively inaccurate in its representation of the density profile at the walls (as has been noted in the past) but it is found to give an estimate for the mean density of adsorbed material that is quantitatively in error. This failing becomes significant for wall separations that are less than about five molecular diameters, under the conditions studied here.

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