Multiphase Catalytic Reactors: a Modular Approach

Currently, state-of-the-art approaches to simulating the behaviour of trickle-bed reactors (TBRs) have focused solely on methods requiring high computational time and are unable to tackle systems with a large number of particles. In this work, a modular methodology based on a Lagrangian approach to TBR modelling is presented, which overcomes these drawbacks by implementing a simulation framework where different modules are interconnected and relevant information is transferred between them. The novelty of this framework stems from its adaptable configuration and its modular and unified setup, enabling it to accommodate both local and global multiscale events. The proposed methodology includes modules for the packing generation, liquid flow simulation, and of reaction system modelling within the reactor. To illustrate the procedure, a case study is discussed while demonstrating the potential of the presented approach. The results were validated against data obtained from a purpose-built experimental setup showing good agreement. The main advantages of this approach lie in its efficiency, the interrelation between different modules, and its ability to capture a wide range of information and phenomena.