Multi-scale Pore Network Modeling of a Reactive Packed Bed

In this study, we introduce a novel multi-scale Pore Network Model (PNM) designed to couple reactor-scale and particle-scale transport phenomena. To model reactor-scale phenomena, we employ a 3D reactor-scale PNM. This reactor-scale PNM is extracted from a packed column filled with spherical particles. Through analysis of the reactor-scale PNM, we obtain insight into the flow behavior of the reactor, which, in turn, is utilized for modeling species dispersion. For modeling particle-scale transport phenomena, we employ a 3D particle-scale PNM to simulate species diffusion and reaction within a spherical porous catalyst particle. This particle is represented with thousands of micro-spheres to represent the porous catalyst particles. The developed particle-scale PNM allows the treatment of realistic 3D boundary conditions on the catalyst particle’s surface. This paper presents an innovative methodology by combining the reactor-scale PNM with the particle-scale PNM, achieved through the incorporation of surface fragments. Both the reactor-scale and particle-scale PNMs have undergone thorough calibration and validation in our previous research (Fathiganjehlou et al. 2023; 2024). The developed multi-scale PNM offers a fast model capable of generating local partially resolved results for the catalytic packed bed reactor within a matter of minutes. This model lays the foundation for multi-scale pore network modeling of real packed bed reactors.