两种典型乙酸烯酯类化合物对流层降解机理及动力学性质研究分析化学专业论文.docxVIP

山东大学硕士学位论文第六章总结与展望 山东大学硕士学位论文 第六章总结与展望 57 6．1总结 57 6．2展望 57 参考文献 ．59 附录 ．．65 致谢 80 硕士期间发表论文 81 硕士期间参与的科研项目 ．．81 万方数据 山东大学硕士学位论文CONTENTS 山东大学硕士学位论文 CONTENTS Abstract in Chinese I Abstract in English IⅡ Chapter 1 Introduction 1 1．1’Ihe Chemical and PhVsical Properties，Sourse and Ham ofAlkenyl Acetates 1 1．2 Research Back盯ound and Status ofAlkenVl Acetates ．．2 1．3 Quantum Chemical Calculation Applied in EnVironmental Chemis臼了 4 1．4 Contents and Significance 6 Chapter 2 Mechnism for the oH—initiated oxidation Of Vinyl Acetate in TrOpOsphere． 。7 2．1 Computational Methods 7 2．2 Results and Discussion ．．7 2．2．1 hlitial Reactions wim 0H Radicals ．7 2．2．2 Secondarv Reaction 9 2．2．3 Kinetic Calculations ．14 2．3 Conclusions ofThis ChaDter 1 6 Chapter 3 Mechnism for the N03-initiated oxidation of Vinyl Acetate in Troposphere ·17 3．1 ComDutational Methods ．．1’7 3．2 Results and Discussion l‘7 3．2．1 111itial Reactions wim N03 Radicals 17 3．2．2 Secondarv Reaction ．19 3．2．3 Kinetic Calculations ．23 3．3 Conclusions ofThis ChaDter 2。7 Chapter 4 Mechnism for the oH-initiated oxidation of Allyl Acetate in Troposphere ·28 4．1 Computational Methods ．28 4．2 Results and Discussion 28 4．2．1 hlitial Reactions with OH Radicals 29 4．2．2 Secondarv Reaction ．32 4．2．3 Kinetic Calculations ．40 4．3 Conclusions ofThis Chapter 一43 Chapter 5 Mechnism for the Cl·initiated oxidation of Allyl Acetate in TrOposphere ·44 5．1 Computational Methods ．44 5．2 Results and Discussion 44 5．2．1 hlitial Reactions with Cl Atoms ．．44 5．2．2 Secondary Reaction ．47 万方数据 山东大学硕士学位论文5．2．3 山东大学硕士学位论文 5．2．3 Kinetic Calculations ．51 5．3 Atmospheric Implications and Atmospheric lifetime ．．54 5．4 Conclusions ofThis Chapter ．．55 Chapter 6 Conclusions and Expectation 57 6．1 Conclusions ．．57 6．2 EXpectation ．57 Refbrences ．59 Appendix 。65 Acknowledgements ．80 Publications ．81 Participating in Researches 81 万方数据 山东大学硕士学位论文摘要 山东大学硕士学位论文 摘要 乙酸烯酯类化合物(CH3C00．R，R=烯基)是一类重要的挥发性有机物化合 物。它种类丰富，用途广泛，常作为单体或者共聚物用于聚合物的生产，这类聚 合物在涂料、树脂、粘合剂、薄膜、合成