晶胞内嵌H2O2分子的CL-20基主客体炸药的温和制备（英文）  

A Mild Method for the Construction of CL-20/H2O2 Host-guest Energetic Material

作　　者：余治慧 徐金江[2] 孙善虎 王洪范 张浩斌[2] 段晓畅 朱春华[2] 王树民 孙杰[2] YU Zhi⁃hui;XU Jin⁃jiang;SUN Shan⁃hu;WANG Hong⁃fan;ZHANG Hao⁃bin;DUAN Xiao⁃chang;ZHU Chun⁃hua;WANG Shu⁃min;SUN Jie(School of Materials Science and Engineering,Southwest University of Science and Technology,Mianyang 621010,China;Institute of Chemical Materials,CAEP,Mianyang 621999,China)

机构地区：[1]西南科技大学材料科学与工程学院,四川绵阳621010 [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》2020年第2期127-136,共10页Chinese Journal of Energetic Materials

基　　金：National Natural Science Foundation of China(21805259)

摘　　要：六硝基六氮杂异伍兹烷(CL-20)是目前能量最高的单质炸药,为了进一步提高其爆轰性能,以过氧化脲作为H2O2的原料,在低温低压干燥的环境下,采用溶剂挥发法构筑了CL-20/H2O2主客体含能炸药。利用粉末X-射线衍射(PXRD)和拉曼光谱对其结构进表征。结果表明,制备的CL-20/H2O2主客体炸药是正交晶系的晶体,空间群为Pbca,具有长程有序堆积的结构。经同步热分析仪(TG-DSC)测试得到主体CL-20分子与客体H2O2分子之间的摩尔比为2:1。利用原位高温XRD研究了CL-20/H2O2的热晶变行为,结果表明,随着温度的升高,CL-20/H2O2逐渐转变为γ-CL-20,并且相转变效率高于ε-CL-20。通过对CL-20/H2O2生长过程的追踪,观察到在溶液结晶过程中,CL-20/CH3CN亚稳相为重要的中间体,并经过一个固相转晶过程最终形成CL-20/H2O2主客体炸药晶体。Hexanitrohexaazaisowurtzitane(CL-20)with a negative oxygen balance,is currently the most powerful commercially available explosive. In this work,the CL-20/H2O2 host-guest energetic material(CL-20/H2O2)was constructed by using urea hydrogen peroxide(UHP)as raw material through the solvent volatilization at low temperature and negative pressure. The structure of the complex was confirmed through X-ray diffraction(XRD)and Raman spectra. Results indicates that CL-20/H2O2 crystal-lizes in orthorhombic system space group Pbca with a long-range ordered stacked structure. The ratio of CL-20 molecule and H2O2 molecule is 2∶1 stoichiometry according to the thermogravimetry and simultaneous differential scanning calorimetry(TG-DSC)analyses. Furthermore,the polymorph transitions of CL-20/H2O2 with increasing temperature were investigated by in situ high temperature XRD. Results show that CL-20/H2O2 gradually converts to γ-CL-20 with elevated temperature and the rate of transition is faster than that of ε-CL-20. The CL-20 acetonitrile solvate(CL-20/CH3 CN)is a key intermediate via a solid state phase transition to form the CL-20/H2O2 host-guest energetic material by tracing the growing process of CL-20/H2O2.

关 键 词：主客体炸药 六硝基六氮杂异伍兹烷(CL-20) H2O2 亚稳相 固相转晶 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]