Modelling of alkane dehydrogenation under transient and steady state conditions over a chromia catalyst using isotopic labelling.

Abstract The dehydrogenation of propane has been studied using isotopic labelling techniques coupled to transient flow methods. Using deutero-propane a kinetic isotope effect of η = 1.85 was calculated and the rate determining step was identified as C 3 D 7 (ads) → C 3 D 6 (ads) + D(ads). By comparing the macro-scale model of the reaction system against the atomic-scale isotope tracer results it is clear that although the macro-scale was adequately described by stoichiometric equations, the atomic-scale processes are far more complex and are often poorly described.