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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Simulation and Experimental on the Solvation Interaction between the GAP Matrix and Insensitive Energetic Plasticizers in Solid Propellants
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Simulation and Experimental on the Solvation Interaction between the GAP Matrix and Insensitive Energetic Plasticizers in Solid Propellants

机译:固体推进剂中GAP基体与不敏感高能增塑剂之间溶剂化相互作用的模拟和实验

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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.
机译:进行了模拟和实验的多种方法,以研究缩水甘油叠氮聚合物(GAP)基质与不敏感的高能增塑剂N-丁基-N-(2-硝基-乙基)硝胺(Bu-NENA)和双(2,2-二硝基丙基)甲醛/乙缩醛(BDNPF / A)。首先,已计算出混合能分布和Huggins参数,表明GAP基质与两种增塑剂之间都具有良好的混溶性。溶解度参数和结合能显示出Bu-NENA与GAP基质之间的相容性优于BDNPF / A,这是由于其相互作用更强。相互作用机理包括氢键和范德华力。低场NMR物理交联密度和动态流变行为暗示Bu-NENA在GAP基质中的解缠作用更大。弹性体的动态力学性能显示出GAP / Bu-NENA共混物的玻璃化转变温度较低,这是与BDNPF / A相比,GAP基质与Bu-NENA之间相互作用更强的支持证据。

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