Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: Ab initio and microkinetic modeling

Published 2015 View Full Article

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Title
Reaction path analysis for 1-butanol dehydration in H-ZSM-5 zeolite: Ab initio and microkinetic modeling
Authors
Keywords
DFT, Dispersion energy, Bio-butanol, Dehydration, Zeolite, Reaction mechanism, Microkinetic modeling, Reaction path analysis
Journal
JOURNAL OF CATALYSIS
Volume 330, Issue -, Pages 28-45
Publisher
Elsevier BV
Online
2015-07-17
DOI
10.1016/j.jcat.2015.07.005

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