Tuesday, November 6, 2007 - 5:34 PM
292f

Mathematical Modeling and Visualization of Gas Transport in A Zeolite Bed Using A Slice Selection Procedure

Michael Petryk, Modélisation du Transfert de Masse en Milieu Hétérogène et Nanoporeux, Université Technique d’Etat Ivan Pul’uy, Ternopil, 46001, Ukraine, Sébastien Leclerc, Méthodologie RMN, Nancy University, Bd des Aiguilettes, Vandoeuvre-les-Nancy, 54506, France, Daniel Canet, Méthodologie RMN, Nancy University, Bd des Aiguilettes, Vandoeuvre-les-Nancy, 54506, France, and Jacques P. Fraissard, Laboratoire de Physique Quantique,, Ecole Supérieure de Physique et de Chimie Industrielles (ESPCI),, 10 rue Vauquelin, Paris, 75005, France.

We present the analytical solution of the equations of gas diffusion in a heterogeneous zeolite bed. The problem is handled by assuming that the bed consists of a large number of very thin layers of solid, perpendicular to the direction of propagation of the gas. The results allow the theoretical determination of the time dependence of the concentration profiles and the inter- and intra-crystallite diffusion coefficients of a gas in each layer of the bed. A numerical application concerns the diffusion of benzene in a cylindrical bed of ZSM5 displaced vertically and rapidly, step by step, inside the NMR probe in the direction of the applied magnetic field B0. Thus we can obtain the time dependence of the concentration of gas absorbed at the level of each slice. These coupled investigations give a better understanding of the diffusion process in this multilayer material. This new type of NMR imaging should be very interesting for studying the co-diffusion of several gases in a catalytic bed, since it make it possible to detect the characteristic spectra of each gas at every moment and position in the bed.