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Combining computational and experimental studies to gain mechanistic insights for n -butane isomerisation with a model microporous catalyst

Potter, Matthew E. ; Spiske, Lucas 1; Plessow, Philipp N. ORCID iD icon 1; McShane, Evangeline B.; Carravetta, Marina; Oakley, Alice E.; Bere, Takudzwa; Carter, James H.; Vandegehuchte, Bart D.; Kaźmierczak, Kamila M.; Studt, Felix 1,2; Raja, Robert
1 Institut für Katalyseforschung und -technologie (IKFT), Karlsruher Institut für Technologie (KIT)
2 Institut für Technische Chemie und Polymerchemie (ITCP), Karlsruher Institut für Technologie (KIT)

Abstract:

Microporous solid acid catalysts are widely used in industrial hydrocarbon transformations in both the fuels
and petrochemical industries. The specific choice of microporous framework often dictates the acidic
properties of the system, such as acid site strength and concentration. In this work we have explored the
influence of acid site concentration on butane isomerisation activity and the mechanistic pathway by
controlling the quantity of magnesium doped into an aluminophosphate, keeping the acid site strength
and framework topology constant. By combining experimental kinetic studies, and theoretical mechanistic
studies, we conclude that isobutane formation, from n-butane, predominantly proceeds through a
bimolecular pathway. Specifically, the activity of the system is strongly linked to the presence of alkenes,
and herein the precise mechanistic roles of the alkenes are explored

Zugehörige Institution(en) am KIT Institut für Katalyseforschung und -technologie (IKFT)
Institut für Technische Chemie und Polymerchemie (ITCP)
Publikationstyp Zeitschriftenaufsatz
Publikationsdatum 09.12.2024
Sprache Englisch
Identifikator ISSN: 2044-4753, 2044-4761
KITopen-ID: 1000176262
HGF-Programm 38.03.02 (POF IV, LK 01) Power-based Fuels and Chemicals
Erschienen in Catalysis Science & Technology
Verlag Royal Society of Chemistry (RSC)
Band 14
Heft 24
Seiten 7140–7151
Nachgewiesen in Dimensions
Web of Science
Scopus

Verlagsausgabe §
DOI: 10.5445/IR/1000176262
Veröffentlicht am 14.11.2024
Seitenaufrufe: 19
seit 14.11.2024
Downloads: 17
seit 19.11.2024
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