P(BAMO/AMMO)及其粘结体系力学性能的MD模拟  

Molecular dynamic simulations of P(BAMO/AMMO)and P(BAMO/AMMO)-based bonded systems

作　　者：王可[1] 李焕[1] 赵昱[1] 刘运飞[1] 胥会祥[1] 张超[1] 李军强[1] 樊学忠[1] 庞维强[1] WANG Ke;LI Huan;ZHAO Yu;LIU Yunfei;XU Huixiang;ZHANG Chao;LI Junqiang;FAN Xuezhong;PANG Weiqiang(Xi’an Modern Chemistry Research Institute,Xi’an 710065,China)

机构地区：[1]西安近代化学研究所,西安710065

出　　处：《固体火箭技术》2021年第1期58-68,共11页Journal of Solid Rocket Technology

摘　　要：基于分子动力学方法,研究了在328、298、233 K时设计的5种不同单体摩尔比的P(BAMO/AMMO)的力学性能、P(BAMO/AMMO)分别与不同质量比Bu-NENA或TMETN组成的粘合体系的力学性能以及P(BAMO/AMMO)对HMX安全性能的影响。298 K时,5种P(BAMO/AMMO)的密度为1.135~1.172 g/cm^(3),且P(BAMO/AMMO)5为最大(BAMO与AMMO摩尔比为3∶1);当BAMO与AMMO摩尔比为2∶1时,对应P(BAMO/AMMO)4的力学性能在3种温度下均为最好;相对于TMETN,Bu-NENA与5种P(BAMO/AMMO)相容性更好,但Bu-NENA对P(BAMO/AMMO)聚合物的增塑效果均较差,而除P(BAMO/AMMO)4外,TMETN在较多的特定质量分数下,均可改善P(BAMO/AMMO)聚合物力学性能,增塑效果较Bu-NENA好。5种P(BAMO/AMMO)粘结剂均能改善HMX安全性,其中当BAMO与AMMO摩尔比例为3∶1时,降感效果最好。Based on molecular dynamics method,the mechanical properties of P(BAMO/AMMO)with five different monomer mole ratios designed at 328 K,298 K and 233 K,the mechanical properties of P(BAMO/AMMO)with different mass ratios of Bu-NENA or TMETN,and the effect of P(BAMO/AMMO)on the safety properties of HMX were studied.The main results are as follows:at 298 K,the density of five kinds of P(BAMO/AMMO)is 1.135~1.172 g/cm 3,and the P(BAMO/AMMO)5 is the largest(the mole ratio of BAMO to AMMO is 3∶1).When the mole ratio of BAMO to AMMO is 2∶1,the mechanical properties of P(BAMO/AMMO)4 are the best at three temperatures.Compared with TMETN,the compatibility of Bu-NENA with five kinds of P(BAMO/AMMO)is better,however,the effect of plastification of Bu-NENA on P(BAMO/AMMO)is worse than TNETN.Except for P(BAMO/AMMO)4,TMETN can improve the mechanical properties of P(BAMO/AMMO)polymer with more specific mass fraction,and the plasticizing effect is better than Bu-NENA.Five kinds of P(BAMO/AMMO)can improve the safety of HMX,and the best effect of reduce the sensitivity is obtained when the mole ratio of BAMO to AMMO is 3∶1.

关 键 词：P(BAMO/AMMO) 分子动力学 力学性能 增塑效果 安全性能 

分 类 号：V512[航空宇航科学与技术—航空宇航推进理论与工程]