新型含能材料TKX-50共混体系的力学性能研究  

Mechanical Properties of TKX-50Blend Systems

作　　者：余庚泽 余晨 杨犁[1] Yu Gengze;Yu Chen;Yang Li(Key Laboratory of Green Chemical Process of Ministry of Education,Key Laboratory of Novel Reactor and Green Chemical Technology of Hubei Province,School of Chemical Engineering and Pharmacy,Wuhan Institute of Technology,Wuhan 430205,China)

机构地区：[1]武汉工程大学绿色化工过程教育部重点实验室和湖北省新型反应器与绿色化学工艺重点实验室化工与制药学院,湖北武汉430205

出　　处：《山东化工》2020年第7期41-46,共6页Shandong Chemical Industry

基　　金：国家自然科学基金(21406172);湖北省自然科学基金(2016CFB388)。

摘　　要：采用分子动力学(MD)模拟研究新型含能材料TKX-50(1,1'-二羟基-5,5'-联四唑二羟胺盐)分别与HMX和RDX形成的TKX-50/HMX混合体系和TKX-50/RDX混合体系的力学性能。主要模拟了TKX-50、HMX和RDX,以及TKX-50/RDX混合体系和TKX-50/HMX混合体系在不同温度下力学性能的变化。研究结果表明TKX-50/RDX混合体系使TKX-50的剪切模量变小,同时使TKX-50的弹性模量减小。TKX-50/HMX混合体系使TKX-50的体积模量变小,使TKX-50的K/G值减小。298K时,TKX-50/HMX混合体系的体积模量,剪切模量,拉伸弹性模量大于HMX,TKX-50/RDX混合体系的体积模量,剪切模量,拉伸弹性模量大于RDX。The mechanical properties of the blending system were simulated by molecular dynamics(MD)method.By blending the energetic material 1,1'-dihydroxy-5,5'-bitetrazole dihydroxylamine salt(TKX-50)with HMX to obtain TKX-50/HMX mixed system,and then by blending TKX-50 with RDX to obtain TKX-50/RDX mixed system.The mechanical properties of TKX-50,HMX,RDX,TKX-50/HMX mixed system,and TKX-50/RDX mixed system under different temperatures were investigated.Simulation and calculation results show that shear modulus of TKX-50/RDX and the elastic modulus of TKX-50/RDX were decreased compared with the pure TKX-50.The bulk modulus of TKX-50/HMX and the K/G value of TKX-50/HMX were smaller than TKX-50.At 298k,the bulk modulus,shear modulus,and tensile elastic modulus of TKX-50/HMX were bigger than HMX,the bulk modulus,shear modulus,and tensile elastic modulus of TKX-50/RDX were bigger than RDX.

关 键 词：混合体系 TKX-50 力学性能 分子动力学模拟 

分 类 号：TQ317.3[化学工程—高聚物工业]