OH-Initiated Oxidation Mechanisms and Kinetics of 2,4,4 '-Tribrominated Diphenyl Ether

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	OH-Initiated Oxidation Mechanisms and Kinetics of 2,4,4 '-Tribrominated Diphenyl Ether
	Cao, Haijie ; He, Maoxia ; Han, Dandan ; Li, Jing ; Li, Mingyue ; Wang, Wenxing ; Yao, Side
刊名	ENVIRONMENTAL SCIENCE & TECHNOLOGY
	2013
卷号	47 期号:15 页码:CONCATENATE(Sheet1!I241,-Sheet1!J241)
ISSN号	0013-936X
英文摘要	2,4,4'-Tribromodiphenyl ether (BDE-28) was selected as a typical congener of polybrominated diphenyl ethers (PBDEs) to examine its fate both in the atmosphere and in water solution. All the calculations were obtained at the ground state. The mechanism result shows that the oxidations between BDE-28 and OH radicals are highly feasible especially at the less-brominated phenyl ring. Hydroxylated dibrominated diphenyl ethers (OH-PBDEs) are formed through direct bromine-substitution reactions (P1 similar to P3) or secondary reactions of OH-adducts (P4 similar to P8). Polybrominated dibenzo-p-dioxins (PBDDs) resulting from o-OH-PBDEs are favored products compared with polybrominated dibenzofurans (PBDFs) generated by bromophenols and their radicals. The complete degradation of OH adducts in the presence of O-2/NO, which generates unsaturated ketones and aldehydes, is less feasible compared with the H-abstraction pathways by O. Aqueous solution reduces the feasibility between BDE-28 and the OH radical. The rate constant of BDE-28 and the OH radical is determined to be 1.79 X 10(-12) cm(3) molecule(-1) s(-1) with an atmospheric lifetime of 6.7 days.
收录类别	SCI
语种	英语
WOS记录号	WOS:000323013400022
公开日期	2014-06-13
内容类型	期刊论文
源URL	[http://ir.sinap.ac.cn/handle/331007/13845]
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
推荐引用方式 GB/T 7714	Cao, Haijie,He, Maoxia,Han, Dandan,et al. OH-Initiated Oxidation Mechanisms and Kinetics of 2,4,4 '-Tribrominated Diphenyl Ether[J]. ENVIRONMENTAL SCIENCE & TECHNOLOGY,2013,47(15):CONCATENATE(Sheet1!I241,-Sheet1!J241).
APA	Cao, Haijie.,He, Maoxia.,Han, Dandan.,Li, Jing.,Li, Mingyue.,...&Yao, Side.(2013).OH-Initiated Oxidation Mechanisms and Kinetics of 2,4,4 '-Tribrominated Diphenyl Ether.ENVIRONMENTAL SCIENCE & TECHNOLOGY,47(15),CONCATENATE(Sheet1!I241,-Sheet1!J241).
MLA	Cao, Haijie,et al."OH-Initiated Oxidation Mechanisms and Kinetics of 2,4,4 '-Tribrominated Diphenyl Ether".ENVIRONMENTAL SCIENCE & TECHNOLOGY 47.15(2013):CONCATENATE(Sheet1!I241,-Sheet1!J241).