alcl3zsm5歧化一甲基三氯硅烷反应机理的研究word格式论文.docxVIP

优秀毕业论文 精品参考文献资料 化效果，使反应更易发生。这也验证了我们前期的实验结果。 （3）当 AlCl3/Mg-ZSM-5 作为催化剂时，四步反应的活化能都不高，分别为 Ea1 = 162.52 kJ?mol-1，Ea2 = 80.08 kJ?mol-1，Ea3 = 191.92 kJ?mol-1，Ea4 = 77.45 kJ?mol-1，故 该歧化反应可以顺利进行。催化剂分别与三甲和一甲作用生成中间体的两步反应是吸热 反应，中间体分别与一甲和三甲反应还原出催化剂的两步反应为放热反应，各步反应的 焓变分别为：△H1 = 84.28 kJ?mol-1，△H2 = -72.99 kJ?mol-1，△H3 = 106.33 kJ?mol-1， △H4 = -50.41 kJ?mol-1。该歧化反应的第一步是催化剂与三甲作用生成中间体和二甲， 这也是主反应的速控步。然后，中间体可以分别与一甲和三甲反应，这两步反应的活化 能都较小，且仅相差 2.63 kJ?mol-1，说明这两步反应都容易发生，而且是相互竞争的。 AlCl3/Mg-ZSM-5 催化剂在歧化制备二甲时的活性反而比 AlCl3/ZSM-5 催化剂要弱，可 见 Mg 对 AlCl3/ZSM-5 催化剂改性用于一甲和三甲的歧化反应并不合适，原因可能是 Mg 的引入降低了 ZSM-5 分子筛的酸强度。 关键词：二甲基二氯硅烷，甲基三氯硅烷，三甲基氯硅烷，ZSM-5 分子筛，AlCl3/ZSM-5， 催化吸附，密度泛函理论（DFT），Mg Abstract  PAGE 6 STUDY ON THE REACTION MECHANISM OF TRICHLORMETHYLSILANE DISPROPORTIONATION CATALYZED BY AlCl3/ZSM-5 ABSTRACT Dichlorodimethylsilane is the most widely used monomer in organosilicon material. Most of the plant use direct-processing method to produce monomers, which would produce lots of by-products, such as trichlormethylsilane (10~15%) and chlorotrimethylsilane. The contents of these by-products accumulate quickly with the expanding of the producing. But the use of them is limited, the storing of them would not only rust the container but also waste resource, and let them off directly would pollute the environment. This paper is intended to transfer them to dichlorodimethylsilane using redistribution method, which can change waste into valuable, and also accord with the requirement of green chemistry. The reaction of disproportionation preparation for dichlorodimethylsilane can proceed in the presence of catalysts. Our early experiment found that AlCl3 and ZSM-5 have certain catalytic activity in the reaction. At present, the theoretical study on the disproportionated reaction is less. Domestic and overseas scholars’ research focuses on the preparation, screening and modification of catalysts, and the improvement and innovation of production process of dichlorodimethylsilane. The mechanism of the di