Modeling the UV/hydrogen peroxide advanced oxidation process using computational fluid dynamics.

The use of numerical models for the design and optimization of UV/H(2)O(2) systems must incorporate both reactor design (hydrodynamics, lamp orientation) and chemical kinetics (reaction mechanisms, kinetic rate constants). This study was conducted to evaluate the performance of comprehensive CFD/UV/AOP models for the degradation of an indicator organic contaminant. The combination of turbulence sub-models, fluence rate sub-models, and kinetic rate equations resulted in a comprehensive and flexible design tool for predicting the effluent chemical composition from a UV-initiated AOP reactor. The CFD model tended to under predict the percent removal of methylene blue compared to pilot reactor trials under the same operating conditions. In addition, the percent difference between the pilot and the CFD results increased with increasing flow rates. The MSSS fluence rate sub-model predicted higher contaminant removal values than the RAD-LSI sub-model while the different two-equation turbulence sub-models did not significantly impact the predicted removal for methylene blue in the tested reactor configuration. The overall degradation of methylene blue was a strong function of the second-order kinetic rate constant describing the reaction between methylene blue and the hydroxyl radical. In addition, the removal of methylene blue was sensitive to the concentration of dissolved organic carbon in the water matrix since DOC acts as a scavenger of hydroxyl radicals.