Modeling catalytic trickle-bed and upflow packed-bed reactors for wet air oxidation of phenol with phase change

In this study, to simulate the steady-state behavior of packed-bed reactors for catalytic wet oxidation of phenol, one-dimensional (1D) axial dispersion model for the liquid phase is coupled with a cell stack model for the gas phase, providing considerable phase change under the selected operating conditions. The reactor scale governing equations, reaction kinetics involved, and solution strategy are discussed. The computational approach accounts for the observed catalyst activities, combined with local transport and catalyst wetting effects. The approach selected is shown to be suitable and efficient in dealing with the problem in question. Comparisons of simulated model predictions and lab scale experimental data are presented. Reasonably simulating the concentration profiles in the reactor at steady-state operation, the model allows designers to determine the effects of catalyst activity and operating and feed conditions on reactor performance. The model also clearly demonstrates the importance of including the phase change effect in the reactor scale flow distribution.