Understanding the window effect in zeolite catalysis

被引：61
作者：
Dubbeldam, D
Calero, S
Maesen, TLM
Smit, B
机构：
[1] Univ Amsterdam, Dept Chem Engn, NL-1018 WV Amsterdam, Netherlands
[2] Chevron Texaco, Energy Res & Technol Co, Richmond, CA 94802 USA
来源：
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2003年 / 42卷 / 31期
关键词：
alkanes; catalysis; computer chemistry; cracking; zeolites;
D O I：
10.1002/anie.200351110
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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).
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收藏
页码：3624 / 3626
页数：3
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