Studies in Surface Science and Catalysis

A coordinative saturated vanadium containing metal organic framework that shows a remarkable catalytic activity

K. Leus, I. Muylaert, V. Van Speybroeck, G.B. Marin, P. Van der Voort
Studies in Surface Science and Catalysis
175, 329-332
2010
P1

Abstract 

A completely saturated Metal Organic Framework, MIL-47 was synthesized and tested for its catalytic performance in the oxidation of cyclohexene with tert-butyl hydroperoxide as oxidant. The catalyst was compared to several reference catalysts: namely VAPO-5, supported VOx/SiO2 and the homogeneous catalyst VO(acac)2. MIL-47 shows a remarkable catalytic activity and preserves its crystalline structure and surface area after a catalytic run. Furthermore MIL-47 exhibits a very high activity in successive runs.

Recent theoretical insights into the role of the zeolite framework on methanol-to-olefin conversion

D. Lesthaeghe, V. Van Speybroeck, M. Waroquier
Studies in Surface Science and Catalysis
174, Part A, 741-744
2008
P1

Abstract 

The two major conflicting proposals in the methanol-to-olefin process are thoroughly investigated and compared using hybrid multi-level modeling techniques. This investigation leads to the absolute rejection of the intensively studied direct mechanisms and provides a successful alternative catalytic cycle as well as additional insight into the hydrocarbon pool proposal.

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

D. Lesthaeghe, V. Van Speybroeck, G.B. Marin, M. Waroquier
Studies in Surface Science and Catalysis
170, 1668-1676
2007
P1

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.

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