title: Kinetics of Chlorination of Benzophenone-3 in the Presence of Bromide and Ammonia.
abstract: The aim of this study was to assess the impact of chlorination on the degradation of one of the most commonly used UV filters (benzophenone-3 (BP-3)) and the effects of bromide and ammonia on the kinetics of BP-3 elimination. Bromide and ammonia are rapidly converted to bromine and chloramines during chlorination. At first, the rate constants of chlorine, bromine and monochloramine with BP-3 were determined at various pH levels. BP-3 was found to react rapidly with chlorine and bromine, with values of apparent second order rate constants equal to 1.25(±0.14) × 10(3) M(-1)·s(-1) and 4.04(±0.54) × 10(6) M(-1)·s(-1) at pH 8.5 for kChlorine/BP-3 and kBromine/BP-3, respectively, whereas low monochloramine reactivity was observed (kNH2Cl/BP-3 = 0.112 M(-1)·s(-1)). To assess the impact of the inorganic content of water on BP-3 degradation, chlorination experiments with different added concentrations of bromide and/or ammonia were conducted. Under these conditions, BP-3 degradation was found to be enhanced in the presence of bromide due to the formation of bromine, whereas it was inhibited in the presence of ammonia. However, the results obtained were pH dependent. Finally, a kinetic model considering 18 reactions was developed using Copasi to estimate BP-3 degradation during chlorination in the presence of bromide and ammonia.
authors.affiliation: Université de Poitiers , Institut de Chimie des Milieux et des Matériaux de Poitiers (IC2MP UMR 7285), Equipe Eaux Géochimie organique Santé (EGS), ENSIP, 1 rue Marcel Doré, Bâtiment B1 TSA 41105, 86073 Poitiers Cedex 9, France.
authors.forename: Pamela
authors.initials: P
authors.lastname: Abdallah
authors.affiliation: Université de Poitiers , Institut de Chimie des Milieux et des Matériaux de Poitiers (IC2MP UMR 7285), Equipe Eaux Géochimie organique Santé (EGS), ENSIP, 1 rue Marcel Doré, Bâtiment B1 TSA 41105, 86073 Poitiers Cedex 9, France.|Université de Poitiers , UFR de Médecine et de Pharmacie, 6 rue de la Milétrie, Bâtiment D1, TSA 51115, 86073 Poitiers Cedex 9, France.
authors.forename: Marie
authors.initials: M
authors.lastname: Deborde
authors.affiliation: Université de Poitiers , Institut de Chimie des Milieux et des Matériaux de Poitiers (IC2MP UMR 7285), Equipe Eaux Géochimie organique Santé (EGS), ENSIP, 1 rue Marcel Doré, Bâtiment B1 TSA 41105, 86073 Poitiers Cedex 9, France.
authors.forename: Florence
authors.initials: F
authors.lastname: Dossier Berne
authors.affiliation: Université de Poitiers , Institut de Chimie des Milieux et des Matériaux de Poitiers (IC2MP UMR 7285), Equipe Eaux Géochimie organique Santé (EGS), ENSIP, 1 rue Marcel Doré, Bâtiment B1 TSA 41105, 86073 Poitiers Cedex 9, France.
authors.forename: Nathalie
authors.initials: N
authors.lastname: Karpel Vel Leitner
mesh_terms: D000641:Ammonia / Q000737:chemistry*; D001577:Benzophenones / Q000737:chemistry*; D001965:Bromides / Q000737:chemistry*; D001966:Bromine / Q000737:chemistry; D002700:Chloramines / Q000737:chemistry; D002713:Chlorine / Q000737:chemistry; D054879:Halogenation; D006863:Hydrogen-Ion Concentration; D007700:Kinetics; D008962:Models, Theoretical; D014867:Water / Q000737:chemistry; D018508:Water Purification / Q000379:methods
chemical_list: D001577:Benzophenones; D001965:Bromides; D002700:Chloramines; D014867:Water; D002713:Chlorine; D000641:Ammonia; C005290:oxybenzone; C030816:chloramine; D001966:Bromine