Design Of a Photocatalytic Reaction System for Pollutant Degradation: A Computational Study

In this study, Computational Fluid Dynamics (CFD) was used to model and simulate the photocatalytic degradation of methyl orange (MeO) in a stirred photoreactor, particularly in the presence of a bismuth oxide catalyst. This approach not only provides an effective method for treating wastewater by breaking down harmful dye pollutants but also highlights the potential of cost-effective and eco-friendly catalytic materials for environmental cleanup.In the first phase, the catalyst was evenly distributed in an aqueous MeO solution, where photocatalysis was employed to degrade the pollutant. The structural properties of the catalyst were analyzed using scanning electron microscopy (SEM). Experiments were conducted to examine how different factors, such as pH and pollutant concentration, influenced MeO removal.In the next step, CFD was used to numerically analyze MeOdegradation through photocatalysis. The results showed that the photoreactor effectively broke down MeO. CFD modeling further explained the degradation mechanism, revealing that hydroxyl radicals (OH•) played a key role in the heterogeneous photocatalyticprocess. Photocatalysis significantly contributed to pollutant breakdown in both experimental and simulated phases.The CFD models closely matched experimental data, confirming the findings related to fluid dynamics and species concentration. By offering deeper insights into mass transfer and reaction kinetics at a fraction of the cost and time, CFD proved to be more efficient than experimental methods in analyzing MeO degradation.