二唑类熔铸炸药载体的分子设计  

Molecular Design of Diazole Carriers for Melt-cast Explosives

作　　者：闫涛[1] 王建华[1] 刘玉存[1] 张晓玉[2] 黄明[2] 常双君[1] 于雁武[1] 荆苏明[1] 

机构地区：[1]中北大学化工与环境学院,山西太原030051 [2]中国工程物理研究院化工材料研究所,四川绵阳621999

出　　处：《含能材料》2016年第2期202-208,共7页Chinese Journal of Energetic Materials

基　　金：国家自然科学基金委员会和中国工程物理研究院联合基金资金项目(U1330135)

摘　　要：熔点是界定炸药能否成为熔铸炸药载体的一个重要指标。为了获取炸药分子结构与熔点之间的关系,考察了硝基二唑类化合物分子结构与熔点之间的关系。归纳、总结了熔点与炸药分子的母体结构、取代基团数量与配置的变化关系。得到了二唑类含能化合物的结构与熔点之间的规律性。以吡唑环为基本结构单元,设计了7种低熔点炸药,其中5种炸药预测的熔点低于120℃。结果表明,1-氨基-3,4,5-三硝基吡唑和1-甲基-3,5-二硝基吡唑基-4-甲硝胺两种吡唑类含能化合物预测熔点分别为112.7℃和86.5℃,其爆轰性能均优于TNT。The melting point is an important indicator determining the explosives can become the carrier for melt-cast explosives. To obtain the relationship between the molecular structure of explosives and the melting point, the relationship between the molecular structure and the melting point of nitro diazole compounds was investigated. Change relation of the melting point and the parent structure of explosive molecule, the number of substituting group and configuration was concluded and summarized. The regularity between the structure of energetic diazole compounds and the melting point was obtained. Seven types of explosives with low melting point were designed on the basis of pyrazole ring as the basic structural unit, of which the predicted melting point of five explosives is lower than 120 ℃. Results show that the predicted melting point of two kinds of energetic pyrazole compounds： 1-amino-3,4, 5-trinitropyrazole and 1-methyl-3,5-dinitropyrazolyl-4-methylnitramine is 112.7 ℃ and 86.5 ℃, respectively. Their detonation performances are better than those of TNT.

关 键 词：分子设计 熔点 二唑 熔铸炸药载体 

分 类 号：TQ560.1[化学工程—炸药化工]