Sticking Probability on Zeolites

The sticking coefficient, i.e., the probability that, on hitting the surface of a nanoporous particle (zeolite), a molecule shall be able to enter the intracrystalline space, is a key quantity for the application of such materials in heterogeneous catalysis and molecular sieving. On the basis of pulsed field gradient NMR diffusion measurements and molecular dynamics simulations, typical values of this probability are found to be close to one. They exceed previous estimates on the basis of IR uptake measurements by many orders of magnitude.

Nachruf auf Gerald Fleischer

PFG n.m.r. study of diffusion anisotropy in oriented ZSM-5 type zeolite crystallites

ZSM-5 zeolite crystallites are oriented by introducing them into a system of parallel capillaries. In this way, by applying pulsed-field gradient (PFG) n.m.r., a direct measurement of the orientation dependence of diffusion in ZSM-5 crystals has become possible. Using methane as a diffusant, the ratio D xy /D z between the diffusivities in the xy plane and in the z direction has been found to be of the order of 4.5. This value is in satisfactory agreement with the behavior expected from both MD calculations and a random walk model of molecular propagation in the two-channel network of ZSM-5-type zeolites.

NMR Studies of Single-File Diffusion in Unidimensional Channel Zeolites

Single-file diffusion is the restricted propagation of particles that cannot pass each other. The occurrence of this phenomenon should be reflected by a change in the time dependence of the mean particle displacement in comparison with ordinary diffusion. Although this process is considered to be the rate-controlling mechanism in a large variety of processes, so far no direct evidence of this phenomenon has been provided. Diffusion measurements made with pulsed field gradient nuclear magnetic resonance (NMR) in unidimensional pore systems (zeolites AlPO4-5 and Theta-1) reflect the expected time dependence of single-file diffusion.