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Understanding the Window Effect in Zeolite Catalysis
Author(s) -
Dubbeldam David,
Calero Sofía,
Maesen Theo L. M.,
Smit Berend
Publication year - 2003
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.200351110
Subject(s) - zeolite , adsorption , cracking , bond cleavage , fluid catalytic cracking , cage , window (computing) , chemistry , molecule , materials science , catalysis , crystallography , computational chemistry , organic chemistry , structural engineering , engineering , computer science , operating system
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 (see picture).