title: Experimental and density functional theoretical study of the effects of Fenton's reaction on the degradation of Bisphenol A in a high voltage plasma reactor.
abstract: A novel electrical discharge plasma reactor configuration with and without iron ions was evaluated for the degradation of 0.02 mM Bisphenol A (BPA). The pseudo-first-order reaction rate constant calculated for the plasma treatment of BPA with a stainless steel electrode in the presence of dissolved ferrous ion (Fe(2+)) salts (termed plasma/Fenton treatment) was higher than in the plasma treatment in the absence of iron salts. At the optimal ferrous ion concentration, longer plasma treatment times resulted in higher BPA degradation rates, likely due to increased hydroxyl (OH) radical concentration formed through the decomposition of H2O2. Replacing the stainless steel with a carbon steel grounded electrode resulted in the release of iron ions from the carbon steel thereby increasing the rate of BPA removal and eliminating the need for iron salts. After the plasma/Fenton treatment, >97% of the residual iron salts were removed by coagulation/flocculation/sedimentation. Byproduct identification coupled with density functional theory (DFT) calculations confirmed that OH radical attack on BPA's hydroxyl group is the primary pathway for byproduct formation.
authors.affiliation: Department of Civil and Environmental Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: daif@clarkson.edu.
authors.forename: Fei
authors.initials: F
authors.lastname: Dai
authors.affiliation: Department of Chemical and Biomolecular Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: fanx@clarkson.edu.
authors.forename: Xiangru
authors.initials: X
authors.lastname: Fan
authors.affiliation: Department of Chemical and Biomolecular Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: strattgr@clarkson.edu.
authors.forename: Gunnar R
authors.initials: GR
authors.lastname: Stratton
authors.affiliation: Department of Civil and Environmental Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA; Department of Civil and Environmental Engineering, 1500 Illinois St., Colorado School of Mines, Golden, 80401 CO, USA. Electronic address: cbellona@clarkson.edu.
authors.forename: Christopher L
authors.initials: CL
authors.lastname: Bellona
authors.affiliation: Department of Civil and Environmental Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: tholsen@clarkson.edu.
authors.forename: Thomas M
authors.initials: TM
authors.lastname: Holsen
authors.affiliation: Department of Civil and Environmental Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: bcrimmin@clarkson.edu.
authors.forename: Bernard S
authors.initials: BS
authors.lastname: Crimmins
authors.affiliation: Department of Civil and Environmental Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: xiax@clarkson.edu.
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Xia
authors.affiliation: Department of Chemical and Biomolecular Engineering, 8 Clarkson Avenue, Clarkson University, Potsdam, 13699 NY, USA. Electronic address: smededov@clarkson.edu.
authors.forename: Selma
authors.initials: S
authors.lastname: Mededovic Thagard
keywords: Bisphenol A; Degradation; Density functional theory; Fenton’s reaction; Plasma