Advanced oxidation of chemicals of emerging concern: Modeling and experimental simulation

Every year, new trace chemicals are detected in natural waters as well as treated wastewater effluents all over the world. Public health and environmental concerns have driven the development of new technologies to treat water and eliminate chemicals that may pose risk to humans and wildlife. This work presents a detailed statistical analysis on the removal of some of the most widely occurring chemicals of emerging concern in wastewater based on information available in the literature. Results show that existing water treatment processes only partially eliminate most of these contaminants. Advanced oxidation processes (AOPs) are some of the technologies that have shown the most promising results for the removal of recalcitrant organics in water. Hydrogen peroxide photolysis (UV/H2O2) and Fenton's reaction are some examples of AOPs that use hydroxyl radicals to oxidize organics.;The kinetics of UV/H2O2 and Fenton's reaction were studied from the experimental and mathematical points of view. Comprehensive models with no adjustable parameters successfully accounted for radical initiation via photolysis of H2O2 or radical initiation via Fenton's mechanism; reaction of organic targets such as p-cresol and nonylphenol with hydroxyl radicals; and recombination mechanisms, as well as changes in solution pH due to evolution of carbon dioxide because of target mineralization. The presence of radical scavengers was successfully handled by the models, suggesting that they can be generalized to the treatment of complex matrices.;The UV/H2O2 model was also extended to solar catalyzed applications. Using an atmospheric solar irradiation model (SMART) and data from the Giovanni-NASA online database, ground-level solar spectral irradiance were obtained and used as model inputs. The kinetic model provided an excellent fit to experimental results obtained with p-cresol and fluorescein targets using no fitted parameters.;The UV/H2O2 process was also studied in commercial flow-through UV reactors with monochromatic and polychromatic light sources. Organic targets of interest such as p-cresol can be degraded effectively in these reactors at relatively low peroxide concentrations. Results with wastewater effluents suggest that these commercial reactors can be used for AOP tertiary treatment as a way to reduce dissolved organic matter and eliminate potential harmful chemicals present in the water.