Modeling of annular reactors with surface reaction using computational fluid dynamics (CFD)

A CFD-based model of predicting the performance of annular reactors with surface reaction was developed. The capability of several hydrodynamic models to predict successfully the kinetic behavior of the reactor under diffusion limiting conditions was assessed against experimental data. The evaluation included five models: laminar, standard k-epsilon, realizable k-epsilon, Reynolds stress (RSM), and Abe-Kondoh-Nagano (AKN). The catalytic decomposition of hydrogen peroxide over a Mn/Al oxide catalyst coated on the reactor surface was used as a model reaction. The reactor was tested within a range of flow rates corresponding to 530 < Re < 11,000 and intrinsic reaction rate constants of 5 x 10(-5) to 1 m/s. The results demonstrated that the performance of the hydrodynamic models is associated with their capability to predict external mass transfer and ultimately, the level of mass transfer limitation present in the reacting system. For laminar flow conditions, the laminar model is capable of predicting the experimental behavior of the system. For transient and turbulent flow regimes, all the analyzed turbulence models provided good predictions of the system when the process was controlled by surface reaction. When the system presented some degree of mass transfer limitation, AKN and RSM exhibited better performance. (C) 2009 Elsevier Ltd. All rights reserved.