Adsorption potential distributions for carbons having defined pore structure-GCMC simulations of the effect of heterogeneity

Abstract

Adsorption Potential Distribution (APD) is one of the most important and widely propagated by Jaroniec and co-workers method since it is modeless. Using the GCMC simulation of Ar adsorption in pores with well defined geometry (slit-like, cylindrical, hexagonal and quadratic) we study the effect of heterogeneity on the APDs. The heterogeneity is introduced by controlled removal of carbon atomsfrom the first internal layer of an adsorbent. Since defects are introduced for pores having different initial geometries it is possible to study the systematic changes in the APD curves.