The cluster model: A hierarchically-ordered assemblage of random-packing spheres for modelling microstructure of porous materials

A new structural model based on the premises widely used for describing the structure of random materials, and especially aerogels, is introduced. Aerogels are described as an assemblage of randomly-packed spheres in several hierarchically-ordered levels. A new algorithm has been developed for constructing structural models from these premises using computer simulation. Subsequently, several techniques based both on the Monte Carlo technique and on geometrical considerations for characterizing real systems have been simulated, and textural parameters of the models have been obtained, including specific surface area, specific porous volume and the apparent density of the systems. This characterization process yields a set of parameters used for testing the capacity of the models to reproduce the structure of several real systems, like aerogels. Special attention has been paid to the pore size distribution calculations: the Monte Carlo integration and the triangulation algorithms have been compared. (C) 2007 Elsevier B.V. All rights reserved.