First-principles microkinetic analysis of Lewis acid sites in Zn-ZSM-5 for alkane dehydrogenation and its implication to methanol-to-aromatics conversion
Author:
Affiliation:
1. State Key Laboratory of Green Chemical Engineering and Industrial Catalysis
2. Sinopec Shanghai Research Institute of Petrochemical Technology
3. Shanghai 201208
4. China
Abstract
Stabilities and dehydrogenation activities of butane and cyclohexane on four different Zn sites in ZSM-5 zeolite were theoretically revealed. ZnOH+ was identified as the most active site at low temperature and the activity increases with the sequence of dehydrogenation.
Funder
National Natural Science Foundation of China
National Key Research and Development Program of China
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2021/CY/D0CY02318C
Reference83 articles.
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