Packed Tubular Reactor Modeling and Catalyst Design using Computational Fluid Dynamics

TLDR: Computational fluid dynamics (CFD) is rapidly becoming a standard tool for the analysis of chemically reacting flows as discussed by the authors, and the application of CFD to the simulation of three-dimensional interstitial flow in packed tubes, with and without catalytic reaction.

Abstract: Computational fluid dynamics (CFD) is rapidly becoming a standard tool for the analysis of chemically reacting flows. For single-phase reactors, such as stirred tanks and “empty” tubes, it is already well-established. For multiphase reactors such as fixed beds, bubble columns, trickle beds and fluidized beds, its use is relatively new, and methods are still under development. The aim of this chapter is to present the application of CFD to the simulation of three-dimensional interstitial flow in packed tubes, with and without catalytic reaction. Although the use of CFD to simulate such geometrically complex flows is too expensive and impractical currently for routine design and control of fixed-bed reactors, the real contribution of CFD in this area is to provide a more fundamental understanding of the transport and reaction phenomena in such reactors. CFD can supply the detailed three-dimensional velocity, species and temperature fields that are needed to improve engineering approaches. In particular, this chapter considers the development of CFD methods for packed tube simulation by finite element or finite volume solution of the governing partial differential equations. It discusses specific implementation problems of special relevance to packed tubes, presents the validation by experiment of CFD results, and reviews recent advances in the field in transport and reaction. Extended discussion is given of two topics: heat transfer in packed tubes and the design of catalyst particles for steam reforming.