Application of density functional theory for determining pore-size distributions of microporous activated carbons

Abstract

We determined the pore-size distributions (PSDs) of 12 activated carbons (ACs) using a combination of density functional theory method from Kierlik and Rosinberg applied to slit-like pores and a regularization method. This combination of methods was applied to nitrogen adsorption isotherms at 77.35 K on the selected ACs, prepared by heat treatment of lignin impregnated with orthophosphoric acid. The effect of three variables, namely, activation temperature, orthophosphoric acid/lignin weight ratio and time of impregnation, was discussed with respect to the resultant PSDs.