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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
2013
Source PublicationENVIRONMENTAL SCIENCE & TECHNOLOGY
ISSN0013-936X
Volume47Issue:15Pages:CONCATENATE(Sheet1!I241,-Sheet1!J241)
Abstract2,4,4'-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.
Indexed BySCI
Language英语
Funding Project应物所项目组
WOS IDWOS:000323013400022
Citation statistics
Cited Times:33[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.sinap.ac.cn/handle/331007/13845
Collection中科院上海应用物理研究所2011-2019年
Recommended Citation
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).
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