Detailed modeling of oxalic acid degradation by UV-TiO2 nanoparticles: Importance of light scattering and photoreactor scale-up

Abstract A detailed computational fluid dynamics model is presented that integrates reactor hydrodynamics with advanced light models and UV-TiO 2 advanced oxidation kinetics to yield the degradation of oxalic acid in a dispersed-phase photoreactor. Model predictions were first compared against experimental data obtained from the literature and subsequently used in a parametric study for investigating scale-up effects associated with both process and photoreactor variables. Investigated variables included: TiO 2 concentration (5–400 mg L −1 ), initial oxalic acid concentration (0.9–32 mg L −1 ), lamp irradiance (100–10,000 W m −2 ), background fluid absorbance (0-30 m −1 ), reactor size (1/4-4 as relative scaling factor), lamp orientation (0-360°) and flowrate (2.5–10 m 3  h −1 ). The analysis revealed that an optimum in oxalic acid degradation is observed when the TiO 2 concentration was controlled in the 20–40 mg L −1 range (depending on lamp irradiance). While lamp orientation showed minimal impact, reactor size and flowrate emerged as key variables for photoreactor design. Moreover, an increase in initial oxalic acid concentration substantially reduced oxalic acid degradation performance observed at high loadings. Also, TiO 2 activation and photoreactor degradation performance were impacted negatively by light competition with background fluid absorbance.