Numerical assessment of diffusion–convection–reaction model for the catalytic abatement of phenolic wastewaters in packed-bed reactors under trickling flow conditions

摘要: Abstract Computational fluid dynamics (CFD) modeling of trickle-bed reactors with detailed interstitial flow solvers has remained elusive mostly due to the extreme CPU and memory intensive constraints. Here, we developed a comprehensible scalable CFD model based on conservative unstructured finite volume methodology bring new insights from perspective catalytic reactor engineering gas–liquid–solid wet oxidation. First, heterogeneous constitutive equations trickle bed system have been derived by means diffusion–convection–reaction coupled within Volume-of-Fluid framework. The multiphase was investigated gain further evidence how effect process variables such as liquid velocity, surface tension wetting phenomena affect overall performance high-pressure reactor. Second, long application under-relaxation parameters, mesh density, time stepping strategy play major role final corroboration, several computational runs detoxification pollutants were validated accordingly evaluated in terms convergence stability criteria. Finally, analysis spatial mappings for reaction properties enables us identify existence relevant dry zones unveil channeling