(671d) Basic Simulation Modeling (BaSMO): A Unified Framework for Modeling Trickle Bed Reactors

Catalytic multiphase reactors play a pivotal role in industry and are extensively used for various processes¹. Specifically, Trickle Bed Reactors (TBRs) are the most widely used, due to their low operational cost and large contact surface area.

Catalyst bed specifications and wetting characteristics, flow distribution, as well as various transport and reaction phenomena taking place pose challenges to their rigorous modeling, despite recent advancements¹.

In literature, several strategies, based on experiments, empirical correlations or Computational Fluid Dynamics (CFD) simulations have been proposed to simulate the behavior and the performance of TBRs, resulting in inaccurate results or high computational cost methods².

To address these drawbacks, an interactive and modular solution for the basic modeling and simulation of TBRs (BaSMO) is proposed in this contribution. This intuitive tool for design and analysis of TBRs operating in the low-interaction-regime is based on the local structure of packed beds (Figure 1). Specifically, a 3D network of minireactors is created to represent the elements of liquid flow.

Utilizing this network representation, the holdup and voidage distribution as well as the reaction performance are obtained. This method requires significantly less CPU time compared to full CFD simulations even for large systems and is in good agreement with experimental data.

Additionally, the proposed framework facilitates the expansion of current models to encompass greater detail, owing to its adaptable structure and modular design, which enables the capture of a broader range of information and phenomena and thereby enhancing the accuracy of the results.

References

[1] Azarpour, A., Rezaei, N., and Zendehboudi, S. (2021). Performance analysis and modeling of catalytic trickle-bed reactors: A comprehensive review. Journal of Industrial and Engineering Chemistry, 103, 1-41.

[2] Jurtz, N., Kraume, M. and Wehinger, G. (2019). Advances in fixed-bed reactor modeling using particle-resolved computational fluid dynamics (CFD). Reviews in Chemical Engineering, 35(2), 139-190.