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Institute of Catalysis Research and Technology (IKFT)

Karlsruher Institute of Technology (KIT)
Hermann-von-Helmholtz-Platz 1
76344 Eggenstein-Leopoldshafen

Contakt / Office

Fon: +49 721 608-22401
Fax: +49 721 608-22244
office@ikft kit edu

Head of Institute - Speaker
Jörg Sauer

Prof. Dr-Ing. Jörg Sauer

Fon: +49 721 608-22401

Head of Institute
Felix Studt

Prof. Dr. Felix Studt

Fon: +49 721 608-28663

Institute of Catalysis Research and Technology (IKFT)

The Institute of Catalysis Research and Technology was founded 2011. Its mission is to bridge the gap between fundamental and applied research and the development of new technologies and products in the field of catalysis and process technology of catalyzed processes. The focus of our work is the sustainable utilization of alternative feedstocks and their conversion into energy carriers intermediates. This includes the development of new catalytic systems based on a fundamental understanding of processes on a molecular level.



The initiation of the methanol-to-olefins (MTO) process was investigated using a multiscale modeling approach where more than 100 ab-initio computed (MP2:DFT) rate constants for H-SSZ-13 are used in a batch reactor model. The simulations unravel the dominant initiation pathway for H-SSZ-13: Dehydrogenation of methanol to CO is followed by CO-methylation leading to the formation of the first C-C bond in methyl acetate despite high barriers of >200 kJ/mol. Our multiscale approach is able to shed light on the reaction sequence that ultimately leads to olefin formation and strikingly demonstrates that only with a full reactor model that includes autocatalysis with olefins as co-catalysts one is able to understand the initiation mechanism on the atomic scale. [Plessow, P. N.; Smith A.; Tischer, S.; Studt, F. J. Am. Chem. Soc., Article ASAP]