含能材料2018，Vol.26Issue(6)：483-488,6.DOI:10.11943/j.issn.1006-9941.2018.06.004
TMETN/NG混合增塑剂及NC共混体系的性能模拟
Simulation on the Properties of TMETN/NG Mixed-plasticizers/NC Blends
摘要
Abstract
To explore the effect of interactions between insensitive high energy mixed-plasticizers and energetic binders on the sys-tem, taking nitrocellulose(NC) as binder, five kinds of blending models which contain 2-methyl-2-[(nitrooxy)methyl]propane-1,3-diyl dinitrate(TMETN), nitroglycerin(NG), and three kinds of TMETN/NG mixed-plasticizers with different mass ratio were constructed.The interactions, mechanical properties, radial distribution functions, and maximum trigger bond(O—NO2) length (Lmax)etc.parameters for each blending system were simulated by molecular dynamics method using Materials studio software. Results show that the binding energy of blending system is decreased when the content of TMETN is increased in the blending mod-els.The mechanical properties of blending model containing mixed-plasticizers are better than those of blending model of single component plasticizer.When the mass ratio of NG to TMETN is 3 :1 , two kinds of nitrate plasticizers can establish strong hydro-gen bond interactions with NC at the same time, and provide higher modulus and lower maximum trigger bond length for blending system, revealing that adjusting the mass ratio of mixed-plasticizers can enhance the interactions between compositions of each system thus the mechanical properties and stability of trigging bond of the blending system are improved.关键词
分子动力学(MD)/混合增塑剂/力学性能/感度/氢键/三羟甲基乙烷三硝酸酯(TMETN)Key words
molecular dynamics(MD)/mixed-plasticizers/mechanical properties/sensitivity/hydrogen bond/2-methyl-2-[(nitrooxy)methyl]propane-1/3-diyl dinitrate(TMETN)分类
军事科技引用本文复制引用
陈京,刘萌,何琦文,马义丁,徐抗震,樊学忠..TMETN/NG混合增塑剂及NC共混体系的性能模拟[J].含能材料,2018,26(6):483-488,6.基金项目
国家自然科学基金项目(21703167) （21703167）
