Kinetic modeling of dynamic changing active sites in a Mars-van Krevelen type reaction: Ethylene oxychlorination on K-doped CuCl2/Al2O3

Abstract A kinetic model was developed by taking into account the dynamic nature of active sites in Mars–van Krevelen type catalytic reactions to predict evolution reactant and product composition gas phase CuCl2 concentration solid catalyst. The at steady-state ethylene oxychlorination obtained combining transient experiments two half-reactions redox cycle, namely reduced CuCl oxidation oxygen on K-promoted CuCl2/?-Al2O3 transitions between during are also modeled, contributions sites, Cu coordination numbers 4 3 were distinguished included model. models describe well response reduction steps as reaction different conditions. Moreover, reactor modeling through a approach, spatial-time resolved profile C2H4 rate can be predicted comparison with experimental results. approach both simulation is supposed have general relevance for better understanding reactions.