First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion
Yu‐Jue Du, Wende Hu, Chuanming Wang, Jian Zhou, Guang Yang, Yangdong Wang, Weimin Yang
Abstract
Stabilities and dehydrogenation activities of butane and cyclohexane on four different Zn sites in ZSM-5 zeolite were theoretically revealed. ZnOH<sup>+</sup> was identified as the most active site at low temperature and the activity increases with the sequence of dehydrogenation.
Topics & Concepts
DehydrogenationChemistryCyclohexaneButaneCatalysisMethanolAlkaneZSM-5Lewis acids and basesZeolitePhotochemistryOrganic chemistryZeolite Catalysis and SynthesisCatalysis and Oxidation ReactionsMesoporous Materials and Catalysis