Xi'an Modern Chemistry Research Institute, Xi'an 710065, China.
Science and Technology on Combustion and Explosion Laboratory, Xi'an 710065, China.
Molecules. 2020 Sep 20;25(18):4311. doi: 10.3390/molecules25184311.
The cocrystallization of high-energy explosives has attracted great interests since it can alleviate to a certain extent the power-safety contradiction. 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaaza-isowurtzitane (CL-20), one of the most powerful explosives, has attracted much attention for researchers worldwide. However, the disadvantage of CL-20 has increased sensitivity to mechanical stimuli and cocrystallization of CL-20 with other compounds may provide a way to decrease its sensitivity. The intermolecular interaction of five types of CL-20-based cocrystal (CL-20/TNT, CL-20/HMX, CL-20/FOX-7, CL-20/TKX-50 and CL-20/DNB) by using molecular dynamic simulation was reviewed. The preparation methods and thermal decomposition properties of CL-20-based cocrystal are emphatically analyzed. Special emphasis is focused on the improved mechanical performances of CL-20-based cocrystal, which are compared with those of CL-20. The existing problems and challenges for the future work on CL-20-based cocrystal are discussed.
高能炸药的共晶化引起了人们的极大兴趣，因为它可以在一定程度上缓解威力-安全性矛盾。2,4,6,8,10,12-六硝-2,4,6,8,10,12-六氮杂异伍兹烷（CL-20）是最强大的炸药之一，引起了全球研究人员的关注。然而，CL-20 的缺点是对机械刺激的敏感性增加，CL-20 与其他化合物的共晶化可能提供一种降低其敏感性的方法。本文综述了五种 CL-20 基共晶（CL-20/TNT、CL-20/HMX、CL-20/FOX-7、CL-20/TKX-50 和 CL-20/DNB）的分子动力学模拟中的分子间相互作用。重点分析了 CL-20 基共晶的制备方法和热分解性能。特别关注 CL-20 基共晶的机械性能的改善，与 CL-20 的机械性能进行了比较。讨论了 CL-20 基共晶未来工作中存在的问题和挑战。
