The cluster model: A simulation of the aerogel structure as a hierarchically-ordered arrangement of randomly packed spheres

Abstract

A new structural model based on the premises widely used for describing the structure of aerogels has been introduced. These structures have been described as an assemblage of randomly-packed spheres in several hierarchically-ordered levels. A new algorithm has been developed for constructing our models from these premises using computer simulation. Subsequently, several applications have been simulated to characterize real systems, obtaining textural parameters such as the specific surface area, specific porous volume or the apparent density of the systems, based on the Monte Carlo technique and on geometrical considerations. The object of these is to test the ability of the models to explain the structure of some real aerogels. This Cluster Model has also been applied as an initial approach to the study of the mechanical properties of aerogels. Results support the general conclusion that these models are useful for explaining the structure of aerogels.