Topological considerations on microporous adsorption processes in simple models for pillared interlayered clays

摘要

The microporous structure of pillared interlayered clays is determined by their interlayer separation and the distribution of the pillars that separate their layers. The pillars provide stability to these quasi-two-dimensional high surface area materials. In this work we present a topological analysis of available and accessible volumes within various simple models of pillared interlayered clays. Each model is characterized by a distribution of pillars. Both fully ordered structures and disordered pillar distributions with either attractive or repulsive interpillar correlations are considered. Particular attention is paid to the problem of accessibility. In systems with similar degrees of porosity, even when cavities within each model might be able to host the same adsorbate molecules, their accessibility will strongly depend on the pillar distribution. The theoretical analysis presented in this work may facilitate the interpretation of experimental results, pointing out those quantities that are key to describe the texture of the porous material.