Mechanism and kinetic study on the OH-initiated degradation of 2,3,7,8-tetrachlorinated dibenzofuran in atmosphere
文献类型：期刊论文
| 作者 | 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 |
| 刊名 | Science of the Total Environment
 |
| 出版日期 | 2012 |
| 卷号 | 435页码:53-60 |
| 关键词 | 2 OH-initiated Degradation mechanism Rate constant Atmospheric lifetime 3 7 8-TeCDF |
| ISSN号 | 0048-9697 |
| 通讯作者 | 孙孝敏 |
| 英文摘要 | 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. |
| 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 (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) |
| 语种 | 英语 |
| WOS记录号 | WOS:000310396100009 |
| 公开日期 | 2013-07-12 |
| 源URL | [http://210.77.64.217/handle/362003/3453]  |
| 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, State Key Lab Solid Lubricat, Lanzhou Inst Chem Phys, Lanzhou 730000, Peoples R China |
| 推荐引用方式 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.(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. |
入库方式： OAI收割
来源：兰州化学物理研究所
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