| 直接法合成二甲基二氯硅烷单体反应体系的热力学计算 | |
| 罗务习 ; 王光润 ; 王金福 ; 金涌 ; Luo Wuxi ; Wang Guangrun ; Wang Jinfu ; Jin Yong | |
| 2010-06-10 ; 2010-06-10 | |
| 关键词 | 直接反应 甲基氯硅烷 热力学计算 最小能量法 产物分布 direct reaction dimethyldichlorosilane thermodynamic calculations minimization of energy function product distribution O627.41 |
| 其他题名 | Effect and Role of AI Addition in the Direct Synthesis Reaction of Methylchlorosilane Monomer |
| 中文摘要 | 为了确定直接法合成反应的控制步骤,对这一复杂反应体系进行了系统的热力学平衡计算。计算结果表明,从热力学的角度来看,主产物二甲基二氯硅烷(M_2)并非优先生成,反应产物的分布情况实际上为主反应和各副反应的动力学所控制。在整个反应体系中,包括以下三个平行反应:CH_3Cl 热裂解生成含氢硅烷、CH_3Cl 催化裂解生成非 M_2甲基氯硅烷副产物和 CH_3Cl 吸附解离生成主产物 M_2。反应产物的分布情况由这三个相互竞争的平行反应的反应速率决定的。要提高 M_2的选择性,必须降低 CH_3Cl 的裂解反应,包括热裂解和催化裂解反应。计算结果与文献中实验值进行了对比分析,吻合良好。; The complex reaction system of direct synthesis has been investigated on the basis of thermodynamic calculations to study whether the direct reaction is controlled by thermodynamics or kinetics.The calculated results indicate that the main reaction to form dimethylchlorosilane(M_2)is not prior to side reactions from the thermodynamic view.Therefore,the product distribution is determined by kinetics of main and secondary reaction. There are three parallel courses in the complex system:the thermal decomposition of CH3C1 to form the hydrogen-containing silanes,the catalytic decomposition of CH_3Cl to form methylchlorosilanes(except M2),and the formation of dimethyldichlorosilane by dissociative adoption of CH_3Cl.The overall reaction results are the competitive outcome of above three courses.It is necessary to reduce the decomposition of CH_3Cl for higher dimethyldichlorosilane selectivity,including thermal decomposition and catalytic decomposition.The calculated results have been compared with the experimental data published,showing a high agreement. |
| 语种 | 中文 ; 中文 |
| 内容类型 | 期刊论文 |
| 源URL | [http://hdl.handle.net/123456789/64357]  |
| 专题 | 清华大学 |
| 推荐引用方式 GB/T 7714 | 罗务习,王光润,王金福,等. 直接法合成二甲基二氯硅烷单体反应体系的热力学计算[J],2010, 2010. |
| APA | 罗务习.,王光润.,王金福.,金涌.,Luo Wuxi.,...&Jin Yong.(2010).直接法合成二甲基二氯硅烷单体反应体系的热力学计算.. |
| MLA | 罗务习,et al."直接法合成二甲基二氯硅烷单体反应体系的热力学计算".(2010). |
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