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

Journal of Catalysis

Volumn 330, Issue , 2015, Pages 28-45

  John, Mathew ^a   Alexopoulos, Konstantinos ^a   Reyniers, Marie Françoise ^a   Marin, Guy B ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

Bio butanol; Dehydration; DFT; Dispersion energy; Microkinetic modeling; Reaction mechanism; Reaction path analysis; Zeolite

Indexed keywords

BUTENES; DEHYDRATION; DENSITY FUNCTIONAL THEORY; DISPERSIONS; ETHERS; PARTIAL PRESSURE; REGRESSION ANALYSIS; ZEOLITES;

DFT; DISPERSION ENERGIES; MICROKINETIC MODELING; REACTION MECHANISM; REACTION PATH ANALYSIS;

REACTION RATES;

EID: 84937209108     PISSN: 00219517     EISSN: 10902694     Source Type: Journal    
DOI: 10.1016/j.jcat.2015.07.005     Document Type: Article

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