Adsorption in energetically heterogeneous slit-like pores: comparison of density functional theory and computer simulations

Abstract

We present a comparison of density functional theory results with Monte Carlo calculations of adsorption in narrow, slit-like pores with energetically heterogeneous walls. The calculations have been carried out assuming Gaussian distribution of the adsorption energy and random topography of adsorbing sites. We have found a reasonable agreement between theoretical predictions and computer simulations.