Elementary step model of ethane oxidative dehydrogenation on Pt-coated monoliths

The oxidative dehydrogenation of ethane to ethylene over Pt-coated foam monoliths in oxygen with varying levels of nitrogen dilution has been simulated using a 24-step model of adsorption, desorption and surface reactions. Reaction parameters for these elementary steps were obtained from surface science and catalysis literature or fit to previously reported experimental data. The model agrees with the experimental data remarkably well, mimicking the selectivity and conversion trends observed experimentally Kith changing operating conditions. The model shows that a purely heterogeneous mechanism can be used to simulate the experimental results collected near atmospheric pressure accurately, suggesting that the mechanism we propose is sufficiently accurate to capture the main features of this reaction system. This model can also be used to examine this reaction system under conditions experimentally inaccessible. Application of this predictive ability to operation of this type of reactor under probable industrial conditions suggests that excellent ethylene yields are possible.