Effects of Partial Confinement on the Specificity of Monomolecular Alkane Reactions for Acid Sites in Side Pockets of Mordenite

被引：99

作者：

Gounder, Rajamani ^{[1
]}

Iglesia, Enrique ^{[1
]}

机构：

[1] Univ Calif Berkeley, Dept Chem Engn, Berkeley, CA 94720 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2010年 / 49卷 / 04期

关键词：

alkanes; cracking; dehydrogenation; mordenite; zeolites; POTENTIAL-ENERGY SURFACE; ISOBUTANE CRACKING; AB-INITIO; PROTOLYTIC CRACKING; LIGHT ALKANES; ZEOLITES; DEHYDROGENATION; REACTIVITY; ACTIVATION; CATALYSIS;

D O I：

10.1002/anie.200905869

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Chemical Equation Presented) Catalytic specificity of side pockets: Monomolecular reactions with higher activation energies - dehydrogenation of linear alkanes (n-butane: blue) and cracking of branched alkanes (isobutane: green) - show a stronger preference for acid sites located within eight-membered ring (8-MR) side pockets in mordenite, where reactants and transition states can only be partially confined. Partial confinement leads to higher entropies and lower free energies for ion pairs at late monomolecular transition states. © 2010 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：808 / 811

页数：4

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