Computer-aided Topological Analysis of the Faujasite Lattice II: Monte Carlo Solution for Zeolite-Y

Abstract

In this paper we extend to the case of Zeolite-Y the topological analysis of the Aluminum distributions of the Faujasite lattice proposed in a previous paper. Here the exact counting of all the inequivalent configurations is complicated by the huge number of possible structures, but the physically relevant distributions can be found by using a Monte Carlo method which turns out to be very efficient. We compare, whenever possible, the Monte Carlo results with the exact countings, and in all these cases we find a perfect agreement. Thus the approach seems to be applicable to the study of every class of Zeolites. In the first two sections the method is introduced, and in the third one the relevant results for the Zeolite-Y are presented and discussed.