title: Diffusion in channeled structures. II. Systems with large energy barriers.
abstract: The methods developed in a previous paper (Phys. Rev. E.: Stat. Phys., Plasmas, Fluids, Relat. Interdiscip. Top. 2003, 68, 046127) are used to calculate the permeability of argon in alpha-quartz, a system containing large energy barriers. The permeability is reported at three different temperatures and follows Arrhenius behavior. The permeabilities obtained from a hopping model combined with transition state theory closely follow our predicted values but are systematically lower. Lattice flexibility cannot be neglected in this system, and the energy-transfer between alpha-quartz and the argon atom through lattice vibrations occurs on a fast enough time scale such that it plays a role in the guest diffusive motion.
authors.affiliation: Department of Chemistry, McGill University, 801 Sherbrooke Ouest, Montréal, Québec, Canada H3A 2K6.
authors.forename: Benoit
authors.initials: B
authors.lastname: Palmieri
authors.forename: David
authors.initials: D
authors.lastname: Ronis