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Confinement Effects on Diffusion and Reaction in Zeolites, Studied by Dynamic MC Simulations, PFG NMR and Interference/IR Microscopy

Jörg Kärger
University of Leipzig
Institute of Experimental Physics I
Physics of Interfaces


The well-defined pore network of crystalline nanoporous host materials leads to a number of remarkable properties in the transport and conversion properties of the guest molecules. These properties include, inter alia, the mutual interdependence of the main elements of the diffusion tensor, the anomalous time dependence of molecular diffusion in channels, where the possibility of mutual particle passages is excluded ("single-file" diffusion), and the reactivity enhancement in networks of single-file systems, if the different sets of parallel channels are accessible to either the reactant and product molecules (reactivity enhancement by "molecular traffic control", MTC).
In cooperation with the partners of the IRTG, highly specialized techniques of diffusion measurement developed in our group (PFG NMR, IR- and interference microscopy) as well as dynamic Monte Carlo simulations will be applied to contribute to a further deepening of our understanding of these phenomena.




Correlation Rule of Zeolitic Diffusion
Molecular displacements into different directions are not independent from each other






An Unconventional Way of Single-File Diffusion






The Potentials of PFG NMR: Probability (Pz,D )
(Mean Propagator) for Displacement z during Time D of Ethane in NaCaA Crystallites of Different Size






IR - and Interference Microscopy


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