Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study | |
Sun XM(孙孝敏)1,2; Zhang CX(张晨熙)1; Zhao YY(赵宇阳)1; Bai J(白静)1; Zhang QZ(张庆祝)1; Wang WX(王文兴)1 | |
刊名 | Environmental Science and Technology |
2012 | |
卷号 | 46期号:15页码:8148-8155 |
ISSN号 | 0013-936X |
通讯作者 | 张庆祝 |
英文摘要 | Reactions with the OH radical are expected to be the dominant removal processes for gas-phase polychlorinated dibenzo-pdioxins and dibenzofuran (PCDD/Fs). The OH-initiated atmospheric chemical reaction mechanism and kinetics of 2,3,7,8-tetrachlorinated dibenzofuran (TCDF) are researched using the density functional theory and canonical variational transition state theory. The reaction mechanism of TCDF with the OH radical and ensuing reactions including bond cleavage of furan ring, O2 addition or abstraction, dechlorination process, bimolecular reaction of TCDF-OH-O2 peroxy radical with NO, and reaction of carbonyl free radicals TCDF-OH-O with H2O are investigated. In the subsequent reactions of TCDF-OH, O2 abstraction and dechlorination are most likely to predominate the process. As the main products, the HO2 radical and the Cl atom are active and may play important roles in the atmospheric oxidation processes. The rate constants of TCDF with the OH radical are calculated, which are consistent with the reported data. |
学科主题 | 材料科学与物理化学 |
收录类别 | SCI |
资助信息 | the National Nature Science Foundation of China (No. 20977059;20903062);National High Technology Research and Development Program 863 Project (2012AA06A301);Independent Innovation Foundation of Shandong University (IIFSDU,2010TS064);Open Project from State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Centerfor Eco-Environmental Sciences, Chinese Academy of Sciences(No. KF2009-10);Excellent young scientists award fund of Shandong Province (BS2012HZ009) |
语种 | 英语 |
WOS记录号 | WOS:000307199800032 |
公开日期 | 2013-07-12 |
内容类型 | 期刊论文 |
源URL | [http://210.77.64.217/handle/362003/3335] |
专题 | 兰州化学物理研究所_固体润滑国家重点实验室 |
作者单位 | 1.Shandong Univ, Environm Res Inst, Jinan 250100, Peoples R China 2.Chinese Acad Sci, Lanzhou Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China |
推荐引用方式 GB/T 7714 | Sun XM,Zhang CX,Zhao YY,et al. Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study[J]. Environmental Science and Technology,2012,46(15):8148-8155. |
APA | Sun XM,Zhang CX,Zhao YY,Bai J,Zhang QZ,&Wang WX.(2012).Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study.Environmental Science and Technology,46(15),8148-8155. |
MLA | Sun XM,et al."Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study".Environmental Science and Technology 46.15(2012):8148-8155. |
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