title: Assessment, modeling and optimization of parameters affecting the formation of disinfection by-products in water.
abstract: This study focused on (a) the development of a screening methodology, in order to determine the main experimental variables affecting chlorinated and brominated disinfection by-product (DBP) formation in water during chlorination experiments and (b) the application of a central composite design (CCD) using response surface methodology (RSM) for the mathematical description and optimization of DBP formation. Chlorine dose and total organic carbon (TOC) were proven to be the main factors affecting the formation of total chlorinated DBPs, while chlorine dose and bromide concentration were the main parameters affecting the total brominated THMs. Longer contact time promoted a rise in chlorinated DBPs' concentration even in the presence of a minimal amount of organic matter. A maximum production of chlorinated DBPs was observed under a medium TOC value and it reduced at high TOC concentrations, possibly due to the competitive production of brominated THMs. The highest concentrations of chlorinated THMs were observed at chlorine dose 10 mg L(-1) and TOC 5.5 mg L(-1). The formation of brominated DBPs is possible even with a minimum amount of NaOCl in the presence of high concentration of bromide ions. Brominated DBPs were observed in maximum concentrations using 8 mg L(-1) of chlorine in the presence of 300 μg L(-1) bromides.
authors.affiliation: Environmental Pollution Control Laboratory, Chemistry Department, Aristotle University of Thessaloniki, Thessaloniki, 54124, Greece.
authors.forename: Chrysa
authors.initials: C
authors.lastname: Gougoutsa
authors.affiliation: Environmental Pollution Control Laboratory, Chemistry Department, Aristotle University of Thessaloniki, Thessaloniki, 54124, Greece. cchrist@chem.auth.gr.
authors.forename: Christophoros
authors.initials: C
authors.lastname: Christophoridis
authors.affiliation: Research Laboratory for the Physical and Chemical Testing of Foods, Department of Food Technology, School of Food Technology and Nutrition, Alexander Technological Educational Institute (ATEI) of Thessaloniki, 57400, Thessaloniki, Greece.|Analytical Development Laboratory, R&D API Operations, Pharmathen SA, Building Thermi 1, P.O Box 8102, 9th km Thessaloniki-Thermi, Thessaloniki, 57001, Greece.
authors.forename: Constantinos K
authors.initials: CK
authors.lastname: Zacharis
authors.affiliation: Environmental Pollution Control Laboratory, Chemistry Department, Aristotle University of Thessaloniki, Thessaloniki, 54124, Greece.
authors.forename: Konstantinos
authors.initials: K
authors.lastname: Fytianos
mesh_terms: D001965:Bromides / Q000737:chemistry; D004202:Disinfectants / Q000737:chemistry*; D004203:Disinfection / Q000379:methods*; D054879:Halogenation; D008956:Models, Chemical; D022882:Trihalomethanes / Q000737:chemistry*; D014874:Water Pollutants, Chemical / Q000737:chemistry*; D018508:Water Purification / Q000379:methods*
chemical_list: D001965:Bromides; D004202:Disinfectants; D022882:Trihalomethanes; D014874:Water Pollutants, Chemical
keywords: Brominated; Central composite design (CCD); Chlorinated; Chlorination; Disinfection by-products (DBPs); Plackett-Burman; Trihalomethanes (THMs)