ACS Catalysis · 2021 · 63 citations · 53 references
Natural SciencesChemical EngineeringChemistryCatalysisEnergy MaterialsReaction EngineeringCatalyst DesignCatalyst StabilityCatalytic MaterialsCatalytic Reaction EngineeringSupported CatalystsZeolite CatalysisActive Site CharacterizationCatalyst ActivityCatalytic ActivityDehydrogenationDehydrogenation CatalysisLong-term StabilitySupported Dehydrogenation CatalystsZeolite Catalysts
High Resolution Image Download MS PowerPoint Slide The nonoxidative catalytic dehydrogenation of ethane allows the production of ethylene at lower temperatures than those applied in steam crackers. This, however, requires stable catalysts that minimize coke production. Here, we report a single-component, promoter-free, low-loading, Cr-based catalyst exhibiting high activity, long-term stability, and improved regeneration properties for the direct dehydrogenation of ethane to ethylene. According to our detailed operando X-ray absorption spectroscopic analysis, the use of all-silica MFI zeolite as support promotes the stabilization of Cr II (−O–Si≡) 2 species with high coke resistance, even when the dehydrogenation is carried out under high ethane partial pressures (1.5 bar).
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Frank Neese · Wiley Interdisciplinary Reviews Computational Molecular Science · 2011 · 13.1K citations
Natural Sciences, Chemistry, Physics +17
First-principles simulation: ideas, illustrations and the CASTEP code
Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text