六苄基六氮杂异伍兹烷氢解脱苄反应动力学的研究  

Study on the Kinetics of Hydrogenolysis Debenzylation of 2,4,6,8,10,12 Hexabenzyl 2,4,6,8,10, 12 Hexaazaisowurtzitane(HBIW)

作　　者：陈江涛[1] 郑福平[1] 欧育湘[1] 陈博仁[1] 王正刚[1] 李博[1] 

机构地区：[1]北京理工大学化工与材料学院

出　　处：《北京理工大学学报》1999年第3期393-396,共4页Transactions of Beijing Institute of Technology

基　　金：国防科技预研基金

摘　　要：目的研究以Ｐｄ（ＯＨ）２作催化剂，溴苯为添加剂，以六苄基六氮杂异伍兹烷（ＨＢＩＷ）在乙酸酐及Ｎ，Ｎ－二甲基甲酰胺（ＤＭＦ）混合溶液中氢解脱苄合成四乙酰基二苄基六氮杂异伍兹烷（ＴＡＤＢＩＷ）反应的动力学．方法固定催化剂用量，通过空白实验修正催化剂对反应吸Ｈ２量的影响，以吸Ｈ２量来表征反应程度．采用积分反应速率方程，对不同温度下该反应的实验数据进行了动力学计算，求得该反应表观活化能为４８ｋＪ·ｍｏｌ－１，指前因子为２．４３×１０６ｍｉｎ－１．３０℃时的表观反应速率常数为１．３３×１０－２ｍｉｎ－１．结果与结论实验表明，从反应开始至产物生成转化率（按物质的量计算）约８０％。Aim To study the kinetics of synthesis of 2,6,8,12 tetraacetyl 4,10 dibenzyl 2,4,6,8,10,12 hexaazaisowurtzitane (TADBIW) by hydrogenolysis debenzylation of 2,4,6,8,10,12 hexabenzyl 2,4,6,8,10,12 hexaazaisowurtzitane(HBIW) in the mixing solvent of acetic anhydride and N,N dimethylformamide (DMF),using Pd(OH) 2 as catalyst and bromobenzene as additive.Methods The absorption amount of hydrogen was used to stand for the reaction extent. Kinetic calculations of the experimental data at various temperatures were carried out, according to the integrate reaction rate equation. The apparent activation energy of the reaction was 48 kJ/mol and the frequency factor 2 43×10 6 min -1 .At 30 ℃, its observed reaction rate constant was 1 33×10 -2 min -1 . Results and Conclusion It is proved that the reaction is consistent with the first order reaction model during the stage from the beginning to the moment when about 80% of the product has formed.

关 键 词：HNIW 氢解 反应动力学 含能材料 能量密度 

分 类 号：O643.22[理学—物理化学] TQ560.1[理学—化学]