UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study

CORC > 生态环境研究中心 > 中国科学院生态环境研究中心 > 中国科学院饮用水科学与技术重点实验室

	UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study
	Xiao, Ruiyang; Wang, Donghong; Chai, Liyuan; Gao, Lingwei; Dionysiou, Dionysios D.; Zhang, Zulin; Spinney, Richard; Wei, Zongsu; Luo, Shuang
刊名	JOURNAL OF HAZARDOUS MATERIALS
	2018-02-05
卷号	343 页码:132-139
关键词	Photodegradation Sulfamethoxazole Ibuprofen Kinetics model Molecular orbital
ISSN号	0304-3894
文献子类	Article
英文摘要	Photodegradation characteristics of pharmaceuticals and personal care products (PPCPs) during UV irradiation are of practical and scientific importance in selecting operational parameters during water treatment processes. In this study, the molar extinction coefficient (epsilon), quantum yield (phi), and degradation kinetics of neutral/anionic forms of sulfamethoxazole (SMX) and ibuprofen (IBU) were compared by varying solution pH. The degradation kinetics of the target compounds were observed to reversely correlate to the energy gap between highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) values of the target compounds. Then, a kinetic model for predicting the direct photolytic rates at different solution pH was established based on epsilon and phi of neutral/anionic species. The root mean squared errors for the modeled values suggest that the model exhibits good predictive power. Finally, in order to evaluate the electrical energy consumption during the UV direct photolysis process, the electrical energy per order (EE/O) was assessed. The experimental and modelling results are important to elucidate the mechanism of degradation of target PPCPs under UV irradiation and allow for the selection of optimal conditions in water treatment processes. (C) 2017 Elsevier B.V. All rights reserved.
内容类型	期刊论文
源URL	[http://ir.rcees.ac.cn/handle/311016/41434]
专题	生态环境研究中心_中国科学院饮用水科学与技术重点实验室
推荐引用方式 GB/T 7714	Xiao, Ruiyang,Wang, Donghong,Chai, Liyuan,et al. UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study[J]. JOURNAL OF HAZARDOUS MATERIALS,2018,343:132-139.
APA	Xiao, Ruiyang.,Wang, Donghong.,Chai, Liyuan.,Gao, Lingwei.,Dionysiou, Dionysios D..,...&Luo, Shuang.(2018).UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study.JOURNAL OF HAZARDOUS MATERIALS,343,132-139.
MLA	Xiao, Ruiyang,et al."UV direct photolysis of sulfamethoxazole and ibuprofen: An experimental and modelling study".JOURNAL OF HAZARDOUS MATERIALS 343(2018):132-139.