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Refinement of the supramolecular concept in methanol-to-olefin catalysis

David Lesthaeghe (UGent) , Veronique Van Speybroeck (UGent) , Guy Marin (UGent) and Michel Waroquier (UGent)
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Abstract
The supramolecular character of methanol-to-olefin conversion in acidic zeolites is thoroughly investigated from a theoretical viewpoint. State-of-the-art modeling techniques have not only led to an absolute rejection of the intensively studied direct mechanisms, but have also provided additional insights into the alternative hydrocarbon pool proposal. The role of various external factors such as zeolite topology on the formation of crucial carbenium ions is discussed and the establaished supramolecular picture is refined.
Keywords
ALKYLATION, ETHYLENE, CONVERSION, ADSORPTION, ONIOM, HSAPO-34, MECHANISM, ZEOLITE, SHAPE-SELECTIVITY, HYDROCARBONS REACTION

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Chicago
Lesthaeghe, David, Veronique Van Speybroeck, Guy Marin, and Michel Waroquier. 2007. “Refinement of the Supramolecular Concept in Methanol-to-olefin Catalysis.” In Studies in Surface Science and Catalysis, ed. Ruren Xu, Zi Gao, Jiesheng Chen, and Wenfu Yan, 170:1668–1676. Amsterdam, The Netherlands: Elsevier Science.
APA
Lesthaeghe, David, Van Speybroeck, V., Marin, G., & Waroquier, M. (2007). Refinement of the supramolecular concept in methanol-to-olefin catalysis. In Ruren Xu, Z. Gao, J. Chen, & W. Yan (Eds.), Studies in Surface Science and Catalysis (Vol. 170, pp. 1668–1676). Presented at the 15th International Zeolite Conference, Amsterdam, The Netherlands: Elsevier Science.
Vancouver
1.
Lesthaeghe D, Van Speybroeck V, Marin G, Waroquier M. Refinement of the supramolecular concept in methanol-to-olefin catalysis. In: Xu R, Gao Z, Chen J, Yan W, editors. Studies in Surface Science and Catalysis. Amsterdam, The Netherlands: Elsevier Science; 2007. p. 1668–76.
MLA
Lesthaeghe, David, Veronique Van Speybroeck, Guy Marin, et al. “Refinement of the Supramolecular Concept in Methanol-to-olefin Catalysis.” Studies in Surface Science and Catalysis. Ed. Ruren Xu et al. Vol. 170. Amsterdam, The Netherlands: Elsevier Science, 2007. 1668–1676. Print.
@inproceedings{532198,
  abstract     = {The supramolecular character of methanol-to-olefin conversion in acidic zeolites is thoroughly investigated from a theoretical viewpoint. State-of-the-art modeling techniques have not only led to an absolute rejection of the intensively studied direct mechanisms, but have also provided additional insights into the alternative hydrocarbon pool proposal. The role of various external factors such as zeolite topology on the formation of crucial carbenium ions is discussed and the establaished supramolecular picture is refined.},
  author       = {Lesthaeghe, David and Van Speybroeck, Veronique and Marin, Guy and Waroquier, Michel},
  booktitle    = {Studies in Surface Science and Catalysis},
  editor       = {Xu, Ruren and Gao, Zi and Chen, Jiesheng and Yan, Wenfu},
  isbn         = {9780444530684},
  issn         = {0167-2991},
  keyword      = {ALKYLATION,ETHYLENE,CONVERSION,ADSORPTION,ONIOM,HSAPO-34,MECHANISM,ZEOLITE,SHAPE-SELECTIVITY,HYDROCARBONS REACTION},
  language     = {eng},
  location     = {Beijing, PR China},
  pages        = {1668--1676},
  publisher    = {Elsevier Science},
  title        = {Refinement of the supramolecular concept in methanol-to-olefin catalysis},
  url          = {http://dx.doi.org/10.1016/S0167-2991(07)81045-7},
  volume       = {170},
  year         = {2007},
}

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