Simulation and Experimental on the Solvation Interaction between the GAP Matrix and Insensitive Energetic Plasticizers in Solid Propellants

被引:35
|
作者
Zhao, Yu [1 ]
Zhang, Xiaohong [1 ]
Zhang, Wei [1 ]
Xu, Hongjun [1 ]
Xie, Wuxi [1 ]
Du, Jiaojiao [1 ]
Liu, Yingzhe [1 ]
机构
[1] Xian Modern Chem Res Inst, Xian 710065, Peoples R China
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2016年 / 120卷 / 05期
基金
中国国家自然科学基金;
关键词
PARTICLE DYNAMICS SIMULATIONS; MOLECULAR-DYNAMICS; MECHANICAL-PROPERTIES; FORCE-FIELD; MICROSTRUCTURE; MISCIBILITY; SENSITIVITY; PREDICTION; COMBUSTION; COMPASS;
D O I
10.1021/acs.jpca.5b10540
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Multimethods of simulation and experiment have been performed to investigate the interaction between glycidyl azide polymer (GAP) matrix and insensitive energetic plasticizers N-butyl-N-(2-nitroxy-ethyl)nitramine (Bu-NENA) and bis(2,2-dinitropropyl)formal/acetal (BDNPF/A). To start with, the blending energy distribution and Huggins parameters have been calculated, indicating fine miscibility between the GAP matrix and both plasticizers. The solubility parameter and binding energies show better compatibility between Bu-NENA and the GAP matrix than BDNPF/A, owing to stronger interactions. The interaction mechanism includes both hydrogen bonds and van der Waals forces. The low field NMR physical cross-link density and dynamic rheological behaviors imply larger disentanglement effect of Bu-NENA in the GAP matrix. The dynamic mechanical performance of elastomers show lower glass transition temperature of GAP/Bu-NENA blends, as supportive proof of stronger interactions between the GAP matrix and Bu-NENA in comparison with BDNPF/A.
引用
收藏
页码:765 / 770
页数:6
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