Mathematical modeling of catalytic wet oxidation in trickle-bed reactors by a diffusion–convection–reaction approach embedded with an interstitial CFD framework

Abstract

In this work, we propose a diffusion–convection–reaction methodology to gain further insights into the heterogeneous multiphase flow of trickle beds. Our case-study encompasses a multi-fluid model embedded within an interstitial framework on the numerical simulation of continuous catalytic wet oxidation of hazardous compounds. First, with the proviso that phase holdup, pressure drop, and liquid distribution are fundamental criteria for the efficient design of trickle beds, the multiphase flow constitutive equations have been developed and solved by the conservative unstructured finite volume method. Second, several numerical variables were parametrically optimized based on the application of different under-relaxation parameters, mesh densities, and time stepping strategies. The segregated solver has been found to reveal good properties in terms of convergence and stability criteria, which endorsed the further corroboration. Finally, this theoretical probing-sensing scheme enabled the characterization of liquid flow texture accomplished by three-dimensional flow patterns exposing their deviation from ideal plug flow. The diffusion–convection–reaction framework coupled within a CFD model can then be further exploited on the simulation of complex multiphase reactive flows with adjustable parameters.