一种化学物质的热危险性研究

以某一化学物质(ANPyO)为例,探讨了化学物质热危险性分析方法和步骤:建议首先从化学结构上对物质进行初步分析,然后根据化学结构进行理论计算预测,最后在前面研究的基础上,选择和确定采用合适的,比如:DSC/TG、ARC等小药量实验方法,研究化学物质的热危险性.对于ANPyO,通过分子结构可知其为多硝基多氨基芳烃,是具有潜在的燃烧、爆炸危险的活性化学物质.理论计算预测其属于高危险性物质.对其进行DSC/TG、ARC实验,得到绝热分解反应的热力学和动力学参数,自加速分解温度( TSADT)为199℃,热分解开始温度为310.0℃,最大反应速度出现在系统温度771.5℃时,自热分解开始到最大反应速度的时间为23.5min.文中研究可为该化学物质生产、使用和储运安全提供参考.

Study on thermal risk of a chemical

Taking a chemical,named ANPyO,for example,the method and procedure for the analysis of chemical thermal risk were put up and studied.First,preliminary analysis on the risk of the material should be carried out from its＇chemical structure.Second,theoretical performance prediction should be done by theoretical calculation based on the molecular structure.At last,the thermal risk of the chemical should be studied carefully by small quantity experiments,i.e.DSC,TG,ARC,and so on,and all of the experiments should be screened based on the result of the studies on the two preceding procedures.For ANPyO,it can be inferred from the molecular structure that it was a chemically reactive substance,and it had some danger character of potential burning and explosion.The theoretical calculation showed that it was a kind of high risk material.The thermodynamics and kinetics parameters of the adiabatic decomposition reaction of ANPyO were acquired by DSC/TG and ARC experiments.The results of those experiments also displayed that the self-accelerating decomposition temperature（T SADT） was 199℃,the beginning thermal decomposition temperature was 310.0℃,and maximum reaction rate occurred at 771.5℃,time to maximum reaction rate from the beginning thermal decomposition was 23.5min.All of the results should be as references for the safety of ANPyO in process of its＇production,use,storage and transportation.