Peter A. Monson

TL;DR: In this paper, the authors present a review of current theoretical approaches to adsorption phenomena in five specific classes of porous materials: oxide molecular sieves, porous coordination solids, porous carbons, sol−gel-derived oxides, and porous heteropolyanion salts.

TL;DR: In this article, the authors consider the thermodynamics of adsorption of gases in porous solids from both the perspective of absolute properties which appear naturally in theoretical studies and that of excess properties which are measured in experiments.

TL;DR: In this paper, the authors discuss the use of classical density functional theory (DFT) to understand adsorption/desorption hysteresis phenomena for fluids confined in mesoporous materials.

TL;DR: The simple van der Waals picture of metastability fails due to the appearance of a complex free-energy landscape with a large number of metastable states, and thermodynamic consistency is not satisfied along the hysteresis loop.

TL;DR: In this article, the authors present results from molecular dynamics simulations of adsorption and desorption by diffusive mass transfer into model pores of well-defined geometry, and show how hysteresis for the slit and wedge geometries is related to the evolution of vapor−liquid interfaces in a manner largely consistent with the classical picture of these systems.