| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 77353 | Microporous and Mesoporous Materials | 2007 | 6 Pages |
Abstract
The DFT cluster approach was applied to investigate the structure of active sites in mixed Pt/GaZSM-5 as an alkane aromatization catalyst. The Ga2Pt4Al2Si4O6H12 cluster was used for modeling the active site of the Pt/GaZSM-5 catalyst. The data obtained indicate that the presence of platinum in the gallium zeolites considerably accelerates a dehydrogenation step in ethane aromatization with a value for the activation energy not exceeding 63 kJ/mol. The Ga2Pt42+ cluster inside zeolite channel is the principle structural unit of a site active in ethane dehydrogenation.
Keywords
Related Topics
Physical Sciences and Engineering
Chemical Engineering
Catalysis
Authors
M.N. Mikhailov, I.V. Mishin, L.M. Kustov, A.L. Lapidus,