摘要
为寻求性能良好的不对称1,2,4,5-四嗪类含能化合物,合成了3-[(对硝基苯基)亚甲基腙]-6-(3,5-二甲基吡唑)-S-四嗪(DPHX)和3-[(2,4-二硝基苯基)亚甲基腙]-6-(3,5-二甲基吡唑)-S-四嗪(DMHT)并培养出单晶,通过元素分析、红外以及X-射线单晶衍射对其结构进行表征。运用差示扫描量热仪(DSC)研究了DPHX和DMHT的热分解行为和热分解动力学,并由Kissinger法计算得到其表观活化能。利用热分解动力学的研究结果对DPHX和DMHT的热安全性进行了研究。结果表明,二者均为单斜晶系,空间群为P21/c,两种化合物表观活化能分别为176.20 kJ·mol^(-1)和229.29 kJ·mol^(-1)。DPHX的自加速分解温度(TSADT)为191.83℃,热点火温度(Tbe)为206.20℃,热爆炸临界温度(Tbp)为213.78℃,DMHT的TSADT为203.91℃,Tbe为212.24℃,Tbp为218.34℃。因此,DMHT较DPHX热稳定好,热安全性高。
To seek forasymmetric 1,2,4,5-tetrazine energetic compounds with good properties,3-(p-nitrobenzyl methy-lene)-6-(3,5-dimethylpyrazol-1-yl)hydrazone-s-tetrazine(DPHX)and 3-(m-dintrobenzyl methylene)-6-(3,5-dimethylpyr-azol-1-yl)hydrazone-s-tetrazine(DMHT)were synthesized,and their single crystals were cultrivate and their structures were characterized by EA,IR and X-ray single crystal diffraction.The thermal decomposition behaviorand thermal decomposition ki-netics of DPHX and DMHT were studied by differential scanning calorimeter(DSC).Their apparent activation energies were cal-culated by Kissinger's method.The thermal safety of DPHX and DMHT was studied by the results of thermal decomposition ki-netics.Results show that both of them are monoclinic with space group P21/c.The apparent activation energies of the two com-pounds are 176.20 and 229.29 kJ·mol-1,respectively.The self-accelerating decomposition temperature(TSADT),thermal ignition temperature(Tbe)and critical temperature of thermal explosion(Tbp)are 191.83,206.20℃and 213.78℃for DPHX,respective-ly,and TSADT=203.91℃,Tbe=212.24℃,Tbp=218.34℃for DMHT,respectively.Therefore,DMHT is more stable than DPHX and has higher thermal safety.
作者
曾天
韩雪
陈湘
张聪
郭兆琦
马海霞
ZENG Tian;HAN Xue;CHEN Xiang;ZHANG Cong;GUO Zhao-qi;MA Hai-xia(School of Chemical Engineering,Northwest University,Xi'an 710069,China)
出处
《含能材料》
EI
CAS
CSCD
北大核心
2018年第10期856-863,共8页
Chinese Journal of Energetic Materials
基金
国家自然科学基金(21673179
21504067)
大学生创新创业训练计划国创项目(201710697038)
关键词
1
2
4
5-四嗪衍生物
晶体结构
热行为
热安全性
1,2,4,5-tetrazine derivatives
crystal structure
thermal behavior
thermal safety
