Dubbeldam (2003)

D. Dubbeldam, S. Calero, T. L. M. Maesen, and B. Smit, Understanding the window effect in zeolite catalysis Angew. Chem.-Int. Edit. 42 (31), 3624 (2003) http://dx.doi.org/10.1002/anie.200351110


Abstract: Cracking mechanisms in the zeolite literature have traditionally assumed full adsorption. Simulations indicate abnormally low adsorption in ERI-, AFX-, CHA-, RHO-, and KFI-type zeolites for chain lengths close to or longer than the cage size. Very long molecules adsorb partially into a cage near the outer surface. After scission the nonadsorbed part can end up in the product or re-adsorb and undergo another scission. This mechanism is characteristic for cage/window-type zeolites with small windows close to the diameter of the adsorbate.

Keywords: alkanes;catalysis;computer chemistry;cracking;zeolites

© Berend Smit 2013