Catalyst Design Study of Detailed Reaction Model including Gas Diffusivity into the Washcoat 2019-01-2327
To understand the effect of diffusion into catalyst washcoat pores on the NOx purification performance, the pseudo-2D model was developed, combining diffusion theory and the elementary reaction model. Using a Pt/Al2O3 + CeO2 catalyst, the rate coefficients for NOx storage and reduction reactions were determined with a plug flow reactor. As utilization, the sensitivity analysis on the performance showed that meso pore properties, particle size, and washcoat thickness were found to have large influences. Moreover, by the combination of machine learning as material informatics approach, it was possible to comprehensively calculate the performance under various washcoat properties.