Computational Fluid Dynamics for Fixed Bed Reactor Design.

Flow, heat, and mass transfer in fixed beds of catalyst particles are complex phenomena and, when combined with catalytic reactions, are multiscale in both time and space; therefore, advanced computational techniques are being applied to fixed bed modeling to an ever-greater extent. The fast-growing literature on the use of computational fluid dynamics (CFD) in fixed bed design reflects the rapid development of this subfield of reactor modeling. We identify recent trends and research directions in which successful methodology has been established, for example, in computer generation of packings of complex particles, and where more work is needed, for example, in the meshing of nonsphere packings and the simulation of industrial-size packed tubes. Development of fixed bed reactor models, by either using CFD directly or obtaining insight, closures, and parameters for engineering models from simulations, will increase confidence in using these methods for design along with, or instead of, expensive pilot-scale experiments.