Computational insights into the reaction mechanism of methanol-to-olefins conversion in H-ZSM-5: nature of hydrocarbon pool
Author:
Affiliation:
1. SINOPEC Shanghai Research Institute of Petrochemical Technology
2. Shanghai 201208
3. China
Abstract
Periodic DFT calculations in H-ZSM-5 revealed that 1,2,3,5-tetramethylbenzene is the primary component of methylbenzene, and olefins themselves are the active hydrocarbon pool species for the methanol-to-olefins conversion.
Publisher
Royal Society of Chemistry (RSC)
Subject
Catalysis
Link
http://pubs.rsc.org/en/content/articlepdf/2016/CY/C5CY01419K
Reference70 articles.
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