title: In situ high temperature MAS NMR study of the mechanisms of catalysis. Ethane aromatization on Zn-modified zeolite BEA.
abstract: Ethane conversion into aromatic hydrocarbons over Zn-modified zeolite BEA has been analyzed by high-temperature MAS NMR spectroscopy. Information about intermediates (Zn-ethyl species) and reaction products (mainly toluene and methane), which were formed under the conditions of a batch reactor, was obtained by (13)C MAS NMR. Kinetics of the reaction, which was monitored by (1)H MAS NMR in situ at the temperature of 573K, provided information about the reaction mechanism. Simulation of the experimental kinetics within the frames of the possible kinetic schemes of the reaction demonstrates that a large amount of methane evolved under ethane aromatization arises from the stage of direct ethane hydrogenolysis.
authors.affiliation: Boreskov Institute of Catalysis, Siberian Branch of the Russian Academy of Sciences, Prospekt Akademika Lavrentieva 5, Novosibirsk 630090, Russia.
authors.forename: Sergei S
authors.initials: SS
authors.lastname: Arzumanov
authors.forename: Anton A
authors.initials: AA
authors.lastname: Gabrienko
authors.forename: Dieter
authors.initials: D
authors.lastname: Freude
authors.forename: Alexander G
authors.initials: AG
authors.lastname: Stepanov
mesh_terms: D002384:Catalysis; D003198:Computer Simulation; D004980:Ethane / Q000737:chemistry*; D006358:Hot Temperature; D006841:Hydrocarbons, Aromatic / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D008968:Molecular Conformation; D017641:Zeolites / Q000737:chemistry*; D015032:Zinc / Q000737:chemistry*
chemical_list: D006841:Hydrocarbons, Aromatic; D017641:Zeolites; D015032:Zinc; D004980:Ethane