3,6-双(1-氢-1,2,3,4-四唑-5-氨基)-1,2,4,5-四嗪-1,4-丁二胺盐的制备和热分解动力学及热安全性

Preparation,non-isothermal kinetics and thermal safety for 1,4-butanediamine salt of 3,6-bis(1H-1,2,3,4-tetrazol-5-yl-amino)-1,2,4,5-tetrazine

利用3,6-双(1-氢-1,2,3,4-四唑-5-氨基)-1,2,4,5-四嗪(BTATz)和1,4-丁二胺,在DMSO中合成出了标题化合物。采用元素分析和红外光谱分析,测定了其结构。用DSC和TG/DTG热分析仪,对标题化合物进行了热分解行为及热分解动力学研究。结果表明,化合物的热分解过程只有一个放热阶段,该阶段的非等温热分解反应动力学方程的活化能和指前因子分别为92.95 kJ/mol和1016.58s-1。采用MicroDSCⅢ量热仪中的连续比定压热容测定模式,测定了化合物的比定压热容,比定压热容随温度呈现二次方关系,且298.15 K下的标准摩尔热容为443.22 J/(mol.K)。计算得到化合物的自加速分解温度(TSADT)、热爆炸临界温度(Tb)和绝热至爆时间分别为521.55、536.73 K和36.97 s。

The 1,4-butanediamine salt of 3,6-bis（1H-1,2,3,4-tetrazol-5-ylamino）-1,2,4,5-tetrazine（BTATz） was synthesized by the reaction of BTATz with 1,4-butanediamine in the DMSO.Its structure was determined with the elemental analysis and IR spectrum.The thermal behavior and thermal decomposition reaction kinetics were studied with DSC and TG/DTG thermal analyzer.The result shows that there is only one exothermic stage in the thermal decomposition process,and the apparent activation energy and pre-exponential constant of this stage were 92.95 kJ/mol and 1016.58 s-1respectively.The specific heat capacity（Cp） was determined by using micro-DSC method.The specific heat capacity presents a good quadratic relationship with temperature in the determined temperature range,and the standard molar specific heat capacity is 443.22 J/（mol·K） at 298.15 K.The self-accelerating decomposition temperature（TSADT）,the critical temperatures of thermal explosion（Tb） and adiabatic time-to-explosion（tTIAD） are also calculated as 521.55 K,536.73 K and 36.97 s,respectively.