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3,7-二硝基亚氨基-2,4-二氮杂双环[3,3,0]辛烷的放热分解反应动力学
胡荣祖*,宋纪蓉,赵凤起,王伯周,高胜利,朱春华,陈沛,罗阳,宁斌科,陈三平,史启祯
作者单位E-mail
胡荣祖* 西安近代化学研究所,西安,710065;西北大学化学系,西安,710069 hurongzu@public.xa.sn.cn 
宋纪蓉 西北大学化学系,西安,710069  
赵凤起 西安近代化学研究所,西安,710065  
王伯周 西安近代化学研究所,西安,710065  
高胜利 西北大学化学系,西安,710069  
朱春华 西安近代化学研究所,西安,710065  
陈沛 西安近代化学研究所,西安,710065  
罗阳 西安近代化学研究所,西安,710065  
宁斌科 西安近代化学研究所,西安,710065  
陈三平 西北大学化学系,西安,710069  
史启祯 西北大学化学系,西安,710069  
摘要:
在程序升温条件下,用DSC研究了标题化合物的放热分解反应动力学.用线性最小二乘法、迭代法以及二分法与最小二乘法相结合的方法,以积分方程、微分方程和放热速率方程拟合DSC数据.在逻辑选择建立了微分和积分机理函数的最可几一般表达式后,用放热速率方程得到相应的表观活化能(Ea)、指前因子(A)和反应级数(n)的值.结果表明:该反应的微分形式的经验动力学模式函数、 Ea和A值分别为(1-α)0.44、 230.4 kJ/mol和1018.16s-1.借助加热速率和所得动力学参数值,提出了标题化合物放热分解反应的动力学方程.该化合物的热爆炸临界温度为302.6℃.上述动力学参数对分析、评价标题化合物的稳定性和热变化规律十分有用.
关键词:  分解  3,7-二硝基亚氨基-2,4-二氮杂双环[3,3,0]辛烷  动力学  DSC
DOI:10.1088/1674-0068/17/6/783-786
分类号:
基金项目:
Kinetics of the Exothermic Decomposition Reaction of 3,7-Dinitroimino-2,4- diazabiscyclo[3,3,0]octane
Hu Rongzu*,Song Jirong,Zhao Fangqi,Wang Bozhou,Gao Shengli,Zhu Chanhua,Chen Pei,Luo Yang,Ning Binke,Chen Sanping,Shi Qizhen
Abstract:
The kinetic parameters of the exothermic decomposition reaction of the title compound in a temperature-programmed mode have been studied by means of DSC. The DSC data obtained are fitted to the integral, differential and exothermic rate equations by linear least-squares, iterative, combined dichotomous and least-squares methods, respectively. After establishing the most probable general expression of differential and integral mechanism functions by the logical choice method, the corresponding values of the apparent activation energy (Ea), pre-exponential factor (A) and reaction order (n) will be obtained by the exothermic rate equation. The results show that the empirical kinetic model function in differential form and the values of Ea and A of this reaction are (1-α)0.44, 230.4 kJ/mol and 1018.16 s-1, respectively. With the help of the heating rate and obtained kinelic parameters, the kinetic equation of the exothermic decomposition reaction process of the title compound is proposed. The critical temperature of thermal explosion of the compound is 302.6℃. The above-mentioned kinetic parameters are quite useful for analyzing and evaluating the stability and thermal change rule of the title compound.
Key words:  Decomposition, 3,7-dinitroimino-2,4-diazabiscyclo[3,3,0]octane, Kinetics, DSC