This review presents the state-of-the-art of adsorption characterization of mesoporous and
microporous materials by using the density functional theory (DFT) methods. The DFT …

Using the example of nanoporous catalysts, we discuss the non-local density functional
theory (NLDFT) model applied to physical adsorption of nitrogen and argon. The model has …

Phenomena of capillary condensation and desorption in siliceous mesoporous molecular
sieves (MMS) with cylindrical channels are studied by means of the non-local density …

Quenched solid density functional theory (QSDFT) model for characterization of mesoporous
carbons using nitrogen adsorption is extended to cylindrical and spherical pore geometries …

SBA-15 silica materials consisting of a collection of non-intersecting cylindrical pores of
varying diameters have been utilized to try to reconcile the pore-size distribution results …

The heat of adsorption is one of the most important parameters characterizing energetic
heterogeneity of the adsorbent surface. Heats of adsorption are either determined directly by …

Methods of nonlocal density functional theory (NLDFT), proposed recently for predictions of
adsorption equilibrium and calculations of pore size distributions in micro-and mesoporous …

We present a new model of adsorption on micro-mesoporous carbons based on the
quenched solid density functional theory (QSDFT). QSDFT quantitatively accounts for the …

Within the last two decades major progress has been achieved in understanding the
adsorption and phase behavior of fluids in ordered nanoporous materials and in the …

Adsorption in spherical cavities is studied by the nonlocal density functional theory (NLDFT).
Theoretical results are compared with experimental data on ordered nanoporous materials …