DOI: 10.1016/j.watres.2018.03.045
Scopus记录号: 2-s2.0-85044107331
论文题名: Oxidation of steroid estrogens by peroxymonosulfate (PMS) and effect of bromide and chloride ions: Kinetics, products, and modeling
作者: Zhou Y. ; Jiang J. ; Gao Y. ; Pang S.-Y. ; Ma J. ; Duan J. ; Guo Q. ; Li J. ; Yang Y.
刊名: Water Research
ISSN: 431354
出版年: 2018
卷: 138 起始页码: 56
结束页码: 66
语种: 英语
英文关键词: Bromide ion
; Chloride ion
; In situ chemical oxidation
; Peroxymonosulfate
; Steroid estrogens
Scopus关键词: Chlorine compounds
; Degradation
; Ionization of liquids
; Kinetics
; Liquid chromatography
; Mass spectrometers
; Negative ions
; pH
; Rate constants
; Bromide ions
; Chloride ions
; In-situ chemical oxidations
; Peroxymonosulfate
; Steroid estrogens
; Oxidation
; aromatic compound
; bromide
; chloride ion
; estradiol
; estriol
; estrone
; ethinylestradiol
; peroxymonosulfate
; sulfate
; unclassified drug
; bromide
; bromine
; chloride
; chlorine
; estradiol derivative
; estrogen
; peroxide
; peroxymonosulfate
; phenol derivative
; bromide
; chloride
; degradation
; estrogenic compound
; in situ measurement
; ionic composition
; kinetics
; numerical model
; oxidation
; phenolic compound
; steroid
; sulfate
; transformation
; Article
; decontamination
; kinetics
; liquid chromatography
; model
; oxidation
; pH measurement
; priority journal
; structure activity relation
; time of flight mass spectrometry
; chemical model
; chemistry
; halogenation
; kinetics
; oxidation reduction reaction
; water pollutant
; Bromides
; Bromine
; Chlorides
; Chlorine
; Estradiol Congeners
; Estrogens
; Halogenation
; Kinetics
; Models, Chemical
; Oxidation-Reduction
; Peroxides
; Phenols
; Water Pollutants, Chemical
英文摘要: Recently, in situ chemical oxidation (ISCO) using peroxymonosulfate (PMS) for environmental decontamination has received increasing interest. In this study, oxidation kinetics and products of four steroid estrogens (i.e., estrone, 17β-estradiol, estriol, and 17α-ethinylestradiol) by PMS under various conditions were investigated. PMS could fairly degrade steroid estrogens over the pH range of 7–10, and the degradation rate increased with the increase of solution pH. This pH-dependence was well described by parallel reactions between individual acid-base species of steroid estrogens (E and E−) and PMS (HSO5 − and SO5 2−), where specific second-order rate constants for E− with HSO5 − and SO5 2− were in the range of 2.11–5.58 M−1s−1 and 0.77–1.25 M−1s−1, respectively. Identification of oxidation products by liquid chromatography/electrospray ionization quadrupole time-of-flight mass spectrometer showed that PMS readily oxidized the phenolic group of steroid estrogens, leading to the generation of hydroxylated and ring-opening products. The presence of bromide and chloride ions (Br− and Cl−) at environmentally relevant levels could greatly accelerate the degradation of steroid estrogens by PMS with the formation of halogenated aromatic products. This effect was quantitatively estimated by a kinetic model, where the formation of free bromine and chorine and their rapid electrophilic substitution with steroid estrogens were taken into consideration. Eco-toxicity of transformation products of 17α-ethinylestradiol by PMS treatment in the absence and presence of bromide and chloride was estimated by quantitative structure–activity relationship analysis using ECOSAR. These findings advance the understanding of ISCO using PMS. © 2018 Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/112776
Appears in Collections: 气候减缓与适应
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作者单位: State Key Laboratory of Urban Water Resource and Environment, School of Environment, Harbin Institute of Technology, Harbin, 150090, China; School of Municipal and Environmental Engineering, Jilin Jianzhu University, Changchun, 130118, China; College of Chemical and Environmental Engineering, Harbin University of Science and Technology, Harbin, 150040, China
Recommended Citation:
Zhou Y.,Jiang J.,Gao Y.,et al. Oxidation of steroid estrogens by peroxymonosulfate (PMS) and effect of bromide and chloride ions: Kinetics, products, and modeling[J]. Water Research,2018-01-01,138