Calculation of Reaction Rate and Selectivity of Dehydrolinalool Hydrogenation over Pd-Ru Alloy Membrane Catalysts

The calculation of the electron work function and the filling number of the d-band in the bulk and in the first layer, considering the segregation of components in Pd–Ru alloys to be the same as membrane catalysts, has enabled us to explain and calculate the changes in catalyst activity and selectivity in dehydrolinalool hydrogenation with varying Ru content in the alloys.