Synergistic effects between hydroxyl radicals and hydrated electrons on strengthening decomposition of an s-triazine compound: A combined experimental and theoretical study

doi:10.1016/j.chemosphere.2017.12.097

CORC > 上海应用物理研究所 > 中国科学院上海应用物理研究所 > 中科院上海应用物理研究所2011-2017年

	Synergistic effects between hydroxyl radicals and hydrated electrons on strengthening decomposition of an s-triazine compound: A combined experimental and theoretical study
	Tang, L ; Lyu, GX ; Mao, W ; Xue, YC ; Li, L ; Jia, CT ; Wu, MH
刊名	CHEMOSPHERE
	2018
卷号	195 页码:365-371
关键词	Aqueous-solution Cyanuric Acid Herbicides Degradation Water Atrazine Pesticides Groundwater Mineralization Environment
ISSN号	0045-6535
DOI	10.1016/j.chemosphere.2017.12.097
文献子类	期刊论文
英文摘要	The decomposition of an environmentally recalcitrant s-triazine compound, prometry (PMT), was carried out by experimental and theoretical approaches to study the combined effects of hydroxyl radicals (center dot OH) and hydrated electrons (e(aq)(-)). With the participation of strongly oxidative radicals (OH)-O-center dot and reductive radicals e(aq)(-) induced by electron beam (EB), PMT obtained a good decomposition performance, which was obviously better than those methods simply using (OH)-O-center dot as the single active species. The evolution of cyanuric acid (CA) during the EB and UV irradiation processes elucidate that former method could efficiently decompose such chemically stable intermediate. The experiments of radical scavengers further suggest that (OH)-O-center dot was the predominant radical during PMT degradation, while e(aq)(-) was beneficial to further decomposition and mineralization. Combined with the results of density functional theory (DFT) calculations, the strengthened synergistic effects between (OH)-O-center dot and e(aq)(-) were proven. The calculations illustrated (OH)-O-center dot could attack the carbon-branch-chains of s-trazine ring and form OH-adducts rather than nitrogen oxides. Moreover, the presence of e(aq)(-) could not only greatly change the geometry of the s-triazine ring, but also help cleaving alkyl chain on ring, thus facilitate the complete mineralization. (C) 2017 Elsevier Ltd. All rights reserved.
语种	英语
WOS记录号	WOS:000424172400037
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/29160]
专题	上海应用物理研究所_中科院上海应用物理研究所2011-2017年
作者单位	1.Tang, L 2.Lyu, GX 3.Mao, W 4.Xue, YC 5.Li, L 6.Jia, CT 7.Wu, MH
推荐引用方式 GB/T 7714	Tang, L,Lyu, GX,Mao, W,et al. Synergistic effects between hydroxyl radicals and hydrated electrons on strengthening decomposition of an s-triazine compound: A combined experimental and theoretical study[J]. CHEMOSPHERE,2018,195:365-371.
APA	Tang, L.,Lyu, GX.,Mao, W.,Xue, YC.,Li, L.,...&Wu, MH.(2018).Synergistic effects between hydroxyl radicals and hydrated electrons on strengthening decomposition of an s-triazine compound: A combined experimental and theoretical study.CHEMOSPHERE,195,365-371.
MLA	Tang, L,et al."Synergistic effects between hydroxyl radicals and hydrated electrons on strengthening decomposition of an s-triazine compound: A combined experimental and theoretical study".CHEMOSPHERE 195(2018):365-371.