Dielectric relaxation in zeolites: theoretical calculation of the ionic dipole re-orientational energy and comparison with TSDC data

An original approach based on Monte-Carlo simulations is proposed for calculating the potential barriers and the electrical polarization associated to the re-orientational motions of cations into a zeolite lattice. A comparison is made with the experimental data obtained from the Thermally Stimulated Depolarization Current technique. A very good agreement is observed, thus confirming, for the first time, that the dielectric relaxation measured in this type of material is likely to be related to ionic localized hopping.