Zeolites are intriguing materials. The basic building blocks are corner sharing TO4 units,
where the T-atoms usually refer to Si, Al, or in some cases also P. These tetrahedrals can …

We present a review of experimental, theoretical, and molecular simulation studies of
confinement effects on freezing and melting. We consider both simple and more complex …

A new software package, RASPA, for simulating adsorption and diffusion of molecules in
flexible nanoporous materials is presented. The code implements the latest state-of-the-art …

We review the current state of knowledge of phase separation and phase equilibria in
porous materials. Our emphasis is on fundamental studies of simple fluids (composed of …

The Gibbs-ensemble Monte Carlo simulation methodology for phase equilibrium
calculations proposed by Panagiotopoulos [1] is generalized and applied to mixture and …

When gases or liquids are adsorbed in narrow pores or capillaries their properties are
significantly different from those in a bulk phase. This article reviews recent developments in …

We have developed a realistic model for studying adsorption in porous glasses which
reproduces the complex structure of these materials. The model porous material is …

We present an overview of progress in understanding the behavior of water in porous
carbons at the molecular level. We survey experimental investigations, semi-empirical …

Activated carbons and molecular sieve carbons are used in a variety of gas separation,
purification, and reaction applications. Effective use of these materials requires knowledge …

In oil field development, phase behavior would influence fluid components and mobility, thus
affecting production. As a fine-grained sedimentary rock, shale brings difficulties to …