Numerical Modeling Study of Detailed Gas Diffusivity into Catalyst Washcoat for Lean NOx Catalyst
To evaluate the relationship between the exhaust gas purification performance and the catalyst pore properties related to gas diffusion, an elementary reaction model was combined with gas diffusion into catalyst pores, referred to as the pseudo-2D gas diffusion/reaction model. It was constructed for Pt/Al2O3 + CeO2 catalyst as lean NOx catalyst. The gas diffusion was described as macro pore diffusion between the catalyst particles and meso pore diffusion within the particle. The kinetic model was composed of 26 reactions of NO/CO/O2 chemistry including 17 Pt/Al2O3 catalyst reactions and 9 CeO2 reactions. Arrhenius parameters were optimized using activity measurement results from various catalysts with various pore properties, meso pore volume and diameter, macro pore volume and diameter, particle size, and washcoat thickness. Good agreement was achieved between the measured and calculated values.