Chemoselectivity during propene hydrogenation reaction over H-ZSM-5 zeolite: Insights from theoretical calculations

Microporous and Mesoporous Materials

Volumn 121, Issue 1-3, 2009, Pages 158-165

  Zheng, Anmin ^a   Liu, Shang Bin ^b   Deng, Feng ^a  

^a Wuhan National Laboratory for Optoelectronics   (China)

^b INSTITUTE OF ATOMIC AND MOLECULAR SCIENCES   (Taiwan)

Author keywords

Acidity; DFT calculation; Product selectivity; Propene hydrogenation reaction; Reaction mechanism; Zeolites

Indexed keywords

ADSORPTION; HYDROGENATION; PROBABILITY DENSITY FUNCTION; PROPYLENE; SILICATE MINERALS; SULFUR COMPOUNDS;

ACTIVATION BARRIERS; ADSORPTION COMPLEXES; CHEMO SELECTIVITIES; CLUSTER MODELS; COMPREHENSIVE STUDIES; DFT CALCULATION; EFFECTS OF ACIDS; ELECTROSTATIC EFFECTS; H-ZSM-5 ZEOLITES; ION TRANSITIONS; N-PROPOXIDE; PRODUCT SELECTIVITY; PROPENE HYDROGENATION REACTION; REACTION ENERGIES; REACTION MECHANISM; REACTION PATHWAYS; STRUCTURAL PARAMETERS; THEORETICAL CALCULATIONS;

ZEOLITES;

EID: 61849155241     PISSN: 13871811     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.micromeso.2009.01.026     Document Type: Article

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