The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al2O3
Alexander Genest1,2, Joaquín Silvestre-Albero1,3, Wen-Qing Li2
1Institute of Materials Chemistry, Technische Universität Wien, Getreidemarkt 9/BC, A-1060, Vienna, Austria.
Abstract:
The selectivity of 1-butene hydrogenation/isomerization on Pd catalysts is known to be particle size dependent. Here we show that combining well-defined model catalysts, atmospheric pressure reaction kinetics, DFT calculations and microkinetic modeling enables to rationalize the particle size effect based on the abundance and the specific properties of the contributing surface facets.
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