A review of the critical aspects in the multi-scale modelling of structured catalytic reactors

Abstract

Structured catalytic reactors are enjoying an increasingly important role in the reaction engineering world. At the same time, there are large and growing efforts to use advanced computational models to describe such reactors. The structured reactor represents a multi-scale problem that is typically modelled at the largest scale only, with sub-models being used to improve the model granularity. Rather than a literature review, this paper provides an overview of the key factors that must be considered when choosing these sub-models (or scale bridges). The example structured reactor selected for illustration purposes is the washcoated honeycomb monolith design. The sub-models reviewed include those for pressure drop, inter-and intra-phase mass and heat transfer, and effective thermal conductivity.