TMETN在浇铸改性双基推进剂中塑化性能的分子动力学模拟及实验研究  

Study on the Plasticizing Properties of TMETN in Casting CMDB Propellants by Molecular Dynamics Simulation and Experiment

作　　者：屈蓓[1] 唐秋凡 张亚俊[1] 张正中[1] 赵昱[1] 樊学忠[1] 付小龙[1] 邓重清[1] 李吉祯[1] QU Bei;TANG Qiu-fan;ZHANG Ya-jun;ZHANG Zheng-zhong;ZHAO Yu;FAN Xue-zhong;FU Xiao-long;DENG Chong-qing;LI Ji-zhen(Xi′an Modem Chemistry Research Institute, Xi′an 710065, China)

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》2021年第3期316-321,共6页Chinese Journal of Explosives & Propellants

基　　金：National Natural Science Foundation of China(No.21805226,No.21805223)。

摘　　要：为了将三羟甲基乙烷三硝酸酯(TMETN)应用于浇铸改性双基推进剂中以降低推进剂感度,通过分子动力学模拟不同增塑剂(NG,TMETN及NG/BTTN)与NC之间的相互作用,得到了其回旋半径、体积分布和径向分布函数等参数,并通过固化实验以及力学性能、机械感度测试对模拟结果进行验证。结果表明,不同增塑剂中NG与NC的相互作用最强,回转半径最大,TMETN对NC的塑化能力较差,使用时应添加辅助增塑剂;固化实验结果显示只添加TMETN的推进剂即使升温至75℃也无法固化,而NG与TMETN质量比1∶1的推进剂则在70℃即可良好固化,同时可使推进剂特性落高H50达到58.6cm以上,摩擦感度降至40%以下,这与对NC塑化效果顺序为NG>NG/BTTN>TMETN的理论计算结果一致。In order to implement the application of trimethylolethane trinitrate(TMETN)in the casting composite modified double-base(CMDB)propellants to reduce propellant sensitivity,the interaction between different plasticizers(NG,TMETN and NG/BTTN)and NC was simulated by molecular dynamics,and the parameters such as gyration radius,volume distribution and radial distribution function were obtained.The simulation results were verified by curing experiments,mechanical properties and mechanical sensitivity tests.The results show that the interaction between NG and NC is the strongest and the gyration radius is the largest among the different plasticizers.The plasticizing property of TMETN is worse,so the assistant plasticizer should be added.The propellant with only TMETN can not be cured even at 75℃,while the propellant with mass ratio of 1∶1 for NG and TMETN can be cured well at 70℃.At the same time,TMETN can make the impact sensitivity of propellant up to 58.6cm,and the friction sensitivity reduce to less than 40%,which is consistent with the theoretical calculation results of NC plasticizing effect in the order of NG>NG/BTTN>TMETN.

关 键 词：浇铸改性双基推进剂 TMETN 塑化 感度 分子动力学模拟 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] V512[航空宇航科学与技术—航空宇航推进理论与工程]