Catalysis Science and Technology
Catalysis Science and Technology
5 years ago

Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling

Effect of zeolite confinement on the conversion of 1-butanol to butene isomers: mechanistic insights from DFT based microkinetic modelling
Guy B. Marin, Mathew John, Marie-Francoise Reyniers, Konstantinos Alexopoulos
First principles microkinetic modelling shows that, unlike in H-ZSM-5 and H-ZSM-22, trans-2-butene formation in H-FER occurs via direct dehydration of 1-butanol.

Publisher URL: http://feeds.rsc.org/~r/rss/cy/~3/JG6Gtu14s7g/C7CY00536A

DOI: 2017/CY/C7CY00536A

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