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书名 | 大气中典型二噁英类物质的氧化降解机理研究(英文版) |
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作者 | 张晨曦//孙孝敏//李甲亮//张吉强 |
出版社 | 冶金工业出版社 |
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简介 | 内容推荐 二噁英是多氯代二苯并-对-二噁英(PCDDs)和多氯代二苯并呋喃(PCDFs)的总称,具有致癌、致畸和致突变的效应(三致效应),已被列入《斯德哥尔摩公约》持久性有机污染物(POPs)的黑名单中。PCDD/Fs的来源主要是垃圾焚烧、化工生产、金属冶炼及精炼过程和造纸工业等。张晨曦、孙孝敏、李甲亮、张吉强著的《大气中典型二噁英类物质的氧化降解机理研究(英文版)》针对前人研究中存在的问题,选取毒性较强、气相分配比占80%以上的2,3,7,8-TCDD和2,3,7,8-TCDF作为模型化合物,主要研究了2,3,7,8-TCDD/F与HOx、O3、NO3、Cl的反应机理研究,大气环境中OH自由基引发的2,3,7,8-TCDD和2,3,7,8-TCDF的氧化降解机理,以及PCDDs与OH自由基反应速率常数的QSAR研究。 目录 1 Introduction 1.1 Physical and chemical properties 1.2 Toxic effects 1.3 Dioxins sources 1.3.1 Incineration processes 1.3.2 Pyrometallurgiea] processes 1.3.3 Coal fired power generation 1.3.4 Chlorinated-chemical industrial processes 1.3.5 Open burning of electronic waste 1.3.6 Biomass burning 1.3.7 Vehicular emission 1.3.8 Kiln-firing of ball clay 1.4 Concentrations of PGDD/Fs in air 1.5 Transformation of PCDD/Fs 1.5.1 Gas/particle partitioning of PCDD/Fs 1.5.2 The dry/wet deposition of PCDD/Fs 1.5.3 Photolysis 1.5.4 Atmospheric oxidation degradation 1.5.5 Biodegradation 1.6 Conclusion and outlook References 2 Atmospheric Chemistry of 2,3,7,8-TCDD/F:Mechanism, Kinetics, and QSAR Study 2.1 Computational methods 2.1.1 Geometry optimization 2.1.2 Kinetic calculation 2.1.3 Quantitative structure-activity relationship 2.2 Results and discussion 2.2.1 Reactions with HOx radicals 2.2.2 Reactions with O3 2.2.3 Reactions of TCDD/F and NO3 radical 2.2.4 Reactions of TCDD/F and C1 atom 2.2.5 Relation between rate constants and various oxidizing agents 2.2.6 Atmospheric lifetime 2.3 Conclusions References 3 Mechanism for OH-initiated Degradation of 2,3,7,8-Tetrachlorinated Dibenzo-p-dioxins in the Presence of 02 and NO/H20 3.1 Computational methods 3.1.1 Geometry optimization 3.1.2 Direct dynamic calculation 3.2 Results and discussion 3.2.1 The OH-initiated reaction of 2,3,7,8-TeCDD 3.2.2 The reactions with 02 in atmosphere 3.2.3 The reactions of NO 3.2.4 The reactions of H20 3.3 The rate constants and atmospheric lifetimes References 4 Atmospheric Chemical Reactions of 2,3,7,8-Tetrachlorinated Dibenzofuran Initiated by OH Radical: Mechanism and Kinetics Study 4.1 Computational methods 4.2 Results and discussion 4.2.1 OH-initiated reaction 4.2.2 Subsequent reactions for the IMI in atmosphere 4.2.3 Reactions of TCDF-OH-O2 peroxy radical in atmosphere 4.3 Environmental significance References 5 Quantitative Structure-activity Relationships Study on the Rate Constants of Polychlorinated Dibenzo-p-dioxins with OH Radical 5.1 Computational methods 5.1.1 Geometry optimization 5.1.2 Kinetic calculation 5.1.3 Quantitative structure-activity relationship 5.2 Results and discussion 5.2.1 Reactions with OH radicals 5.2.2 Relation between rate constants and the configuration parameters 5.3 Conclusion References |
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