title: Mechanism and kinetics of sulfamethoxazole photocatalytic ozonation in water.
abstract: The photocatalytic ozonation of sulfamethoxazole (SMT) has been studied in water under different experimental conditions. The effect of gas flow rate, initial concentration of ozone, SMT and TiO2 has been investigated to establish the importance of mass transfer and chemical reaction. Under the conditions investigated the process is chemically controlled. Both, SMT and TOC kinetics have been considered. Fast and slow kinetic regime of ozone reactions have been observed for SMT and TOC oxidation, respectively. Application of different inhibitors allows for the establishment of reaction mechanism involving direct ozonation, direct photolysis, hydroxyl radical reactions and photocatalytic reactions. Rate constants of the direct reaction between ozone and protonated, non-protonated and anionic SMT species have been determined to be 1.71 x 10(5), 3.24 x 10(5) and 4.18 x 10(5) M(-1) s(-1), respectively. SMT quantum yield at 313 nm was found to be 0.012 moles per Einstein at pH 5 and 0.003 moles per Einstein at pHs 7 and 9. Main contributions to SMT removal were direct ozone reaction, positive hole oxidation and hydroxyl radical reactions. For TOC removal, main contributions were due to positive hole oxidation and hydroxyl radical reactions.
authors.affiliation: Departamento de Ingeniería Química y Energética, Universidad de Extremadura, Avenida de Elvas S/N, 06071 Badajoz, Spain. fbeltran@unex.es
authors.forename: Fernando J
authors.initials: FJ
authors.lastname: Beltrán
authors.forename: Almudena
authors.initials: A
authors.lastname: Aguinaco
authors.forename: Juan F
authors.initials: JF
authors.lastname: García-Araya
mesh_terms: D002384:Catalysis; D007700:Kinetics; D010084:Oxidation-Reduction; D010126:Ozone / Q000737:chemistry*; D055668:Photochemical Processes; D013420:Sulfamethoxazole / Q000737:chemistry*; D013997:Time Factors; D014025:Titanium / Q000737:chemistry; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; C009495:titanium dioxide; D010126:Ozone; D014025:Titanium; D013420:Sulfamethoxazole