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Highlights • The SCR reaction occurred within a thin layer (ca. 0.2 mm) in the wall near the catalyst channel. • The SO 2 oxidation occurred in the entire catalyst wall. • The effects of the operating parameters were investigated synthetically. • A strategy for catalyst design, i.e., applying thin-walled design was proposed. Abstract A three-dimensional model that combined the selective catalytic reduction (SCR) of NO with ammonia and SO 2 oxidation reactions over monolith honeycomb catalyst was established to study the effects of catalyst structure and operating parameters on NO reduction and SO 2 oxidation. The model was to proved to be valid by experimental data. Simulation results showed that the SCR reaction only took place within a thin layer (ca. 0.2 mm) of the catalyst wall surface, whereas SO 3 generated via SO 2 oxidation accumulated throughout the entire wall. The effects of typical operating parameters, i.e., space velocity, temperature, feed concentrations of NO, NH 3 and SO 2 were studied. Temperature and gas velocity were found to be the major influencing factors on SO 2 oxidation. A strategy for monolith catalyst struction optimization, i.e., using thin-walled catalyst was proposed on the basis of these results. [ABSTRACT FROM AUTHOR]