Refinement of the supramolecular concept in methanol-to-olefin catalysis
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.
D. Lesthaeghe V. Van Speybroeck G. B. Marin M. Waroquier
Center for Molecular Modeling, Ghent University, Proeftuinstraat 86, B-9000 Gent, Belgium Laboratorium voor Petrochemische Techniek, Ghent University, Krijgslaan 281-S5, B-9000 Gent, Belgium
国际会议
北京
英文
2007-08-12（万方平台首次上网日期，不代表论文的发表时间）