Textural study of simulated dimorphic porous substrates

Dimorphic pore substrates (i.e. mesoporous solids made of separated grains of cylindrical and spherical void entities) have been recently synthesized. This type of adsorbent possesses special properties highly appreciated in separation processes due to their bimodal pore size distribution. The simulation of these intricate structures sets a difficult problem with current Molecular methods such as Monte Carlo and Molecular Dynamics. Besides the computational effort it is difficult to formulate a general framework predicting the experimental conditions and the chemical variables conducting to different types of structures. In this work we present simulated results based on the use of a lattice model known as the Dual Site-Bond Model. We sacrifice microscopic structure details in order to build a basic conceptual support to characterize and describe the different kinds of possible textures of these complex pore solids. Our aims is to express in a clear way how different spatial arrangements of connected cavities and necks can describe the basic textural aspects that lead to interesting sorption properties of these complex solid substrata.