摘要
采用分子动力学(MD)和耗散分子动力学(DPD)方法研究了不同含量三羟甲基乙烷三硝酸酯(TMETN)对硝化棉(NC)的增塑效果,并通过静态力学性能及机械感度测试对模拟结果进行了验证。结果表明,NC/TMETN质量比为1.3∶1.0时,体系中NC的回转半径最大(20.41)且氢键作用最强,此外硝酸酯键拥有较小的平均引发键键长和最小的最大引发键键长,表明该质量比的NC/TMETN体系力学性能和安全性能最好,TMETN对NC具有较好的增塑效果。NC/TMETN(质量比1.3∶1.0)体系的混匀程度和混匀时间均优于NC/TMETN(质量比1.2∶1.0)体系,进一步表明该黏结体系中TMETN对NC的增塑效果更好。实验测得NC/TMETN(质量比1.3∶1.0)体系在20℃下的拉伸强度达到16.22 MPa,撞击感度为67.7 cm,摩擦感度为4%,其力学性能和安全性能均为最好,很好地验证了MD和DPD模拟结果。
The theoretical plasticizing effect of different mass fraction of trimethylotethane reinitiate(TMETN)on nitrocellulose(NC)was investigate through the molecular dynamics(MD)and dissipative particle dynamics(DPD)methods,and the simulation results were further validated by static mechanical properties and mechanical sensitivity tests.The results show that the NC/TMETN bonding system with 1.3∶1.0 mass ratio exhibits the largest NC radius of gyration(20.41),the hydrogen-bond interaction is the strongest,and the maximum lengths of trigger bond(O—NO 2)is the shortest,which implying that the mechanical and safety performances are the best for this NC/TMETN bonding system,and TMETN has better plasticizing effect on NC.The blending degree and blending time for 1.3∶1.0 system are better than those of 1.2∶1.0 mass ratio,showing that NC/TMETN bonding system with 1.3∶1.0 mass ratio has better plasticizing effect on NC.Moreover,in the experimental tests,the tensile strength,impact sensitivity and friction sensitivity of NC/TMETN bonding system with mass ratio of 1.3∶1.0 at 20℃are 16.22 MPa,67.7 cm,and 4%,respectively.Its mechanical and safety performances are the best in the whole bonding systems,which is well in according with MD and DPD simulations.
作者
张超
王可
李军强
李伟
胡义文
陶磊
陈俊波
王江宁
杨立波
袁志锋
ZHANG Chao;WANG Ke;LI Jun-qiang;LI Wei;HU Yi-wen;TAO Lei;CHEN Jun-bo;WANG Jiang-ning;YANG Li-bo;YUAN Zhi-feng(Xi′an Modern Chemistry Research Institute,Xi′an 710065,China;Yibin North Chemical Industry Co.Ltd.,Yibin Sichuan 644219,China)
出处
《火炸药学报》
EI
CAS
CSCD
北大核心
2019年第6期589-596,共8页
Chinese Journal of Explosives & Propellants
基金
总装预研项目(No.41420030501)
作者简介
张超(1975-),男,研究员,从事固体推进剂配方与工艺技术研究。E-mail:chzhang204@sina.com。
