Multi-Scale Modeling of Internal Mass Diffusion Limitations in CO Oxidation Catalysts

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.

• Periodical: Defect and Diffusion Forum (Volume 364)
• Pages: 92-103
• DOI: https://doi.org/10.4028/www.scientific.net/DDF.364.92
• Online since: June 2015
• Authors: J.E.P. Navalho*, J.M.C. Pereira, J.C.F. Pereira
• Keywords: Catalytic Combustion, Digital Media Reconstruction, Effective Diffusivity, Intraporous Diffusion Limitations, Multi-Scale Modeling, Reaction-Diffusion Modeling

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DOI: 10.1016/j.ijhydene.2013.02.141

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