Macroscopic and population balances for the simulation of surface reactions

Modeling and computational simulation of the carbon monoxide oxidation process, taken as a key system to analyze importance dynamic description active sites into process yield, are presented in this work. To aim, formalism transport phenomena population balances used implement realistic model that involves heat exchange, transfer mass momentum, chemical reaction, catalyst deactivation. The is solved numerically, analysis made by comparing isothermal pseudo-steady state approximation with non-isothermal non-steady assumption for catalytic cycle. results show advantage considering interface explicitly since temporary changes reactive complex well have great influence over reaction yield. By fact, more proper way.