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Dr.-Ing. Niels Hansen and Prof. Dr. Frerich J. Keil Multiscale Approaches for Modeling Hydrocarbon Conversion Reactions in Zeolites Chemie Ingenieur Technik 85

Version of Record online: 5 MAR 2013 | DOI: 10.1002/cite.201200201

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Multiscale approaches are expected to emerge as a useful tool in rational catalyst design. Methods for simulating phenomena in heterogeneous catalysis on a molecular level are described and their combination within a hierarchical multiscale model is exemplified by means of two industrially important hydrocarbon conversion reactions.

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