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Microkinetics simulations are presented based on DFT‐determined elementary reaction steps of the Fischer–Tropsch (FT) reaction. The formation of long‐chain hydrocarbons occurs on stepped Ru surfaces with CH as the inserting monomer, whereas planar Ru only produces methane because of slow CO activation. By varying the metal–carbon and metal–oxygen interaction energy, three reactivity regimes are identified...
Mikrokinetik‐Simulationen wurden für die Analyse der komplexen Fischer‐Tropsch (FT)‐Reaktion eingesetzt. In der Zuschrift auf S. 12960 ff. unterscheiden E. J. M. Hensen et al. zwischen drei kinetischen Domänen, in denen die katalytische Leistung der modernen FT‐Katalysatoren durch CO‐Aktivierung, Produktdesorption bzw. O2‐Entfernung bestimmt ist. Ein besseres Verständnis der FT‐Reaktion wird für die...
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