Highlights
Highlights
A micro-kinetic model for CO/C3H6/ C2H6/H2 oxidation on Pt/Al2O3 is developed.
Inverse hysteresis is mainly due to formation of surface intermediates.
The possibility of steam reforming of C2H6 happening before oxidation is illustrated.
Hysteresis predicted by global and micro-kinetic models differs substantially.
An elementary step mechanism, which accounts for adsorption, desorption and surface reaction steps is proposed for co-oxidation of CO, propylene, hydrogen and ethane on Pt/Al2O3. Parameter estimation is used to determine the kinetic parameters for these steps, which depend on platinum loading and disper- sion. A micro-kinetic model is proposed for water-gas shift reaction that captures the experimental trend observed during co-oxidation of CO/H2. This mechanism is used to predict hysteresis features during oxi- dation and co-oxidation reactions. The oxidation of all the individual reactants exhibits regular hysteresis and the model predicts the experimentally observed inverse hysteresis during co-oxidation of CO and C3H6. The inverse hysteresis is caused by surface intermediates formed during C3H6 oxidation. These sur- face intermediates block the active sites, decreasing the light-off activity of CO during ramp down. The developed micro-kinetic model can also explain steam reforming of propylene and ethane on Pt/Al2O3. Finally, we compare the predicted hysteresis during CO oxidation by global and micro-kinetic models. The predicted ignition temperature by both global and micro-kinetic models is almost same. However, the predicted extinction temperature by the global and micro-kinetic models is rather different. This behavior is due to different rate determining step during ramp down period.
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