| Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere | |
| Department | 固体润滑国家重点实验室 |
| Zhang CX(张晨熙)1; Zhao YY(赵宇阳)1; Bai J(白静)1; Gong C(功臣)1; Sun XM(孙孝敏)1,2; Sun XM(孙孝敏) | |
| 2012 | |
| Source Publication | Science of the Total Environment
 |
| ISSN | 0048-9697 |
| Volume | 435Pages:53-60 |
| Abstract | High-accuracy molecular orbital calculation has been performed to investigate the atmospheric oxidation reaction of 2,3,7,8-tetrachlorodibenzofuran (2,3,7,8-TeCDF) initiated by the OH radical in the presence of O2 and NO/H2O. The possible channels involved in the reaction are discussed, and the favorable reaction pathways are revealed. The degradation occurs easily once the OH radical initiates the reaction. Two aspects need to be mentioned: one is that H2O in atmosphere is a source of OH radical which will initiate a new round of degradation and improve the degradation efficiency; the other is that the furan ring of 2,3,7,8-TeCDF can be turned into dioxin ring, which may explain the experimental hypothesis that polychlorodibenzofurans can be transformed to polychlorodibenzo-p-dioxins. Rate constants of the elementary reactions are calculated over a temperature range of 250–400 K. Arrhenius formulas are fitted and the atmospheric lifetimes of reaction species in the troposphere are discussed for the first time, which can be applied to the study on the model simulation and the management of the hazardous materials. |
| Keyword | Oh-initiated 2 Degradation Mechanism 3 Rate Constant 7 Atmospheric Lifetime 8-tecdf |
| Subject Area | 材料科学与物理化学 |
| DOI | 10.1016/j.scitotenv.2012.07.007 |
| Funding Organization | the National Nature Science Foundation of China (Nos. 20903062;20977059;21177076);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 Center for Eco-Environmental Sciences, Chinese Academy of Sciences (No. KF2009-10);Excellent young scientists award fund of Shandong Province (BS2012HZ009) |
| Indexed By | SCI |
| If | 3.258 |
| Language | 英语 |
| compositor | 第二作者单位 |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://ir.licp.cn/handle/362003/3453 |
| Collection | 固体润滑国家重点实验室（LSL） |
| Corresponding Author | Sun XM(孙孝敏) |
| Affiliation | 1.Shandong Univ, Environm Res Inst, Jinan 250100, Peoples R China 2.Chinese Acad Sci, State Key Lab Solid Lubricat, Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China |
| Recommended Citation GB/T 7714 | Zhang CX,Zhao YY,Bai J,et al. Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere[J]. Science of the Total Environment,2012,435:53-60. |
| APA | Zhang CX,Zhao YY,Bai J,Gong C,Sun XM,&孙孝敏.(2012).Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere.Science of the Total Environment,435,53-60. |
| MLA | Zhang CX,et al."Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere".Science of the Total Environment 435(2012):53-60. |
| Files in This Item: | ||||||
| File Name/Size | DocType | Version | Access | License | ||
| 53-60.PDF（407KB） | 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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