固体火箭技术2017，Vol.40Issue(4)：476-483,8.DOI:10.7673/j.issn.1006-2793.2017.04.014
分子动力学及热分析方法研究CL-20与推进剂主要组分的相互作用
Interaction of CL-20 with solid propellant components by molecular dynamics simulation andthermal analysis method
摘要
Abstract
The interactions between hexanitrohexaazaisowurtzitane (CL-20) and other solid propellant components has been studied by using molecular dynamics simulations (MD) and differential scanning calorimetry (DSC).The experimental results were analyzed in comparison to the theoretical bond length variation tendency.It has been indicated by the MD calculation results that the maximum bond lengths (Lmax) of the N-NO2 trigger bond were increased monotonously with the elevated temperature for both pristine CL-20 and RDX/HMX mixture.Besides,longer bond lengths have been observed when CL-20 was mixed with RDX and HMX,suggesting an easier decomposition reaction.However,little change of the bond lengths occurred when CL-20 was mixed with NG/NC,and more importantly,several bonds became shorter.It could be inferred better stability of CL-20 when it was mixed with NG/NC,and it was more difficult to decompose.It's indicated from the DSC results that there were strong interactions between CL-20 and both RDX and HMX,when the temperature was higher than 156 ℃.There were no obvious interactions between CL-20 with NG/NC.关键词
分子动力学模拟/六硝基六氮杂异伍兹烷(CL-20)/固体推进剂/相互作用Key words
molecular dynamics simulations/hexanitrohexaazaisowurtzitane(CL-20)/solid propellants/interaction分类
航空航天引用本文复制引用
屈蓓,唐秋凡,李吉祯,樊学忠,张正中..分子动力学及热分析方法研究CL-20与推进剂主要组分的相互作用[J].固体火箭技术,2017,40(4):476-483,8.基金项目
火炸药预研项目(40406010301). （40406010301）
