晶形控制及形成共晶:含能材料改性研究的重要途径  

Crystal Control and Cocrystal Formation:Important Route of Modification Research of Energetic Materials

作　　者：舒远杰[1] 武宗凯 刘宁[1] 丁小勇[1] 吴敏杰[1] 王可[1] 卢莹莹[1] 

机构地区：[1]西安近代化学研究所,陕西西安710065

出　　处：《火炸药学报》2015年第5期1-9,共9页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金资助项目(51373159);国际(地区)合作与交流项目(51511130036)

摘　　要：从HMX、TATB、CL-20等典型含能材料改性的实验方法及理论模拟两个方面,综述了含能材料改性研究的最新进展。重点介绍了晶形控制及共晶两种改性方法,即通过晶形控制可以有效改善炸药的安定性、装药密度、感度等性能,通过共晶可以有效改善炸药的氧平衡及感度,提高其爆热、作功能力及安全性等性能。分子模拟计算可以有效减少含能材料改性研究过程中的条件筛选工作,并得到最佳实验方案,为实验研究提供理论依据。评述了含能材料改性研究的现状及发展方向。附参考文献64篇。From the two aspects of experiment method and theoretical simulation for typical energetic materials such as HMX,TATB,CL-20,etc.,the latest progresses of study in the modification of energetic materials were reviewed.Two modification methods about crystal control and cocrystal were mainly introduced.Through crystal control,the stability,charge density and sensitivity etc for explosive can be effectively improved.Through cocrystal,the oxygen balance and sensitivity of explosive can be effectively improved and its heat of detonation,power capability and safety etc.can be improved.Molecular simulation can effectively reduce the screening work of conditions in the process of modification research of energetic materials.The best experimental method can be obtained through simulation and provides theoretical basis for experimental research.The research situation and development direction of energetic material modification are evaluated with 64 references.

关 键 词：含能材料 晶形控制 共晶 分子模拟计算 文献综述 改性方法 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O64[理学—物理化学]