Muti-scale Simulation and Experimental Study of NC/TMETN Bonding System

被引：0
|
作者：
Zhang C. [1 ]
Wang K. [1 ]
Li J.-Q. [1 ]
Li W. [2 ]
Hu Y.-W. [1 ]
Tao L. [2 ]
Chen J.-B. [1 ]
Wang J.-N. [1 ]
Yang L.-B. [1 ]
Yuan Z.-F. [1 ]
机构：
[1] Xi'an Modern Chemistry Research Institute, Xi'an
[2] Yibin North Chemical Industry Co. Ltd., Yibin, 644219, Sichuan
来源：
Huozhayao Xuebao/Chinese Journal of Explosives and Propellants | 2019年 / 42卷 / 06期
关键词：
Applied chemistry; Dissipative particle dynamics (DPD); Molecular dynamics (MD); NC/TMETN bonding system;
D O I：
10.14077/j.issn.1007-7812.201807022
中图分类号：
学科分类号：
摘要：
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 (20.41Å), the hydrogen-bond interaction is the strongest, and the maximum lengths of trigger bond (O-NO2) 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 16.22MPa, 67.7cm, 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. © 2019, Editorial Board of Journal of Explosives & Propellants. All right reserved.
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页码：589 / 596
页数：7
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