Abstract
This work applies a 3D multi-scale bottom-up approach for modeling the processes of diffusion and reaction-diffusion in porous catalyst layers. The performance of the random pore model to predict effective transport coefficients are compared with the results of the multi-scale diffusion model. The results of the 3D multi-scale diffusion model are employed in a 1D pseudo-homogeneous reaction-diffusion model with a relative good agreement with the 3D multi-scale reaction-diffusion model. Furthermore, the former multi-scale model was coupled to a full-scale reactor model with good results and high advantages in terms of computational time savings.
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