| Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by an OH Radical: Mechanism and Kinetics Study | |
| Department | 固体润滑国家重点实验室 |
| 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; Zhang QZ(张庆祝) | |
| 2012 | |
| Source Publication | Environmental Science and Technology
 |
| ISSN | 0013-936X |
| Volume | 46Issue:15Pages:8148-8155 |
| Abstract | 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. |
| Subject Area | 材料科学与物理化学 |
| DOI | 10.1021/es301413v |
| Funding Organization | 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) |
| Indexed By | SCI |
| If | 5.257 |
| Language | 英语 |
| compositor | 第二作者单位 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.licp.cn/handle/362003/3335 |
| Collection | 固体润滑国家重点实验室（LSL） |
| Corresponding Author | Zhang QZ(张庆祝) |
| Affiliation | 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 |
| Recommended Citation 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.,...&张庆祝.(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. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| 8148-8155.PDF（458KB） | 期刊论文 | 作者接受稿 | 开放获取 | CC BY-NC-SA | View Application Full Text | |
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