Dresden 2026 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 88: Catalysis and surface reactions III

O 88.8: Vortrag

Donnerstag, 12. März 2026, 16:45–17:00, TRE/MATH

Product Selectivity in Fischer-Tropsch Synthesis — •Benjamin Rasmus Grimm, Luis Antonio Cipriano Marcos, Oliver Christensen, and Jens Kehlet Nørskov — DTU Physics, Kongens Lyngby, Denmark

The product selectivity and activity of Fischer-Tropsch synthesis (FTS) is important for producing synthetic fuels and chemicals from natural gas, coal, or biomass. Some catalysts generate mainly undesired methane, whereas others show higher selectivity toward longer hydrocarbons. In this study, density functional theory (DFT) is employed to calculate the activity- and selectivity-determining reaction steps and energy barriers of FTS on cobalt-based catalysts. Reaction rates and product selectivities are then evaluated using a microkinetic model that incorporates the rate- and selectivity-determining steps of the FTS mechanism. To describe the catalyst as realistically as possible, adsorbate coverage and migration effects under experimental conditions are taken into account. Finally, strategies to improve reaction rates and selectivity are discussed.

Keywords: Fischer-Tropsch; DFT; product selectivity; catalysis