Percolation diffusion of guest molecules in NaCaA zeolites: field gradient NMR studies and Monte Carlo simulations

Abstract

Percolation diffusion of guest molecules in NaCaA zeolite is simulated by the Monte Carlo method and monitored by the pulsed field gradient (PFG) nuclear magnetic resonance (NMR) technique. The simulations are performed to evaluate possible manifestations of anomalous percolation diffusion in NaCaA zeolite observable by PFG NMR. The observation of normal diffusion of ethane in NaCaA by PFG NMR was found to be in agreement with the results of Monte Carlo simulations. The conditions of the observation of anomalous percolation diffusion by PFG NMR are discussed.