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TATB基PBX介观结构的耗散粒子动力学模拟 被引量:4

Dissipative Particle Dynamics Simulation on the Mesoscopic Structure of TATB-based PBX
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摘要 利用耗散粒子动力学对四种TATB基PBX的介观结构及其演变过程进行了研究。结果表明:聚合物在单质炸药TATB中形成线形的网状结构,但没有完全包覆TATB;随着聚三氟氯乙烯重复单元在聚合物中含量比例的增加,聚合物在TATB中的扩散变得越来越容易;温度升高也会使更多的聚合物扩散到TATB中。研究发现,温度在400K时,聚合物形成蜂窝状结构,能很好地包覆TATB。 The mesoscopic structures of TATB ( 1,3,5-triamino-2,4,6-trinitrobenzene) -based PBXs ( polymer bonded explosive) and their time evolutions were investigated using the dissipative partiete dynamics (DPD) method. The results show that most of the polymers are condensed to spheres and only several polymer chains extend into TATB, the polymers form reseau structure in TATB. TATB is fixed in the polymers, but can not be wrapped perfectly by the polymers. At the same time, with the increasing of the temperature and the content of the polychlorotrifluoroethylene(PCTFE) monomers in the polymer, more polymers are dispersed in TATB. When the temperature is up to 400K, the polymers form the alveolate structure, and wrap TATB perfectly.
出处 《含能材料》 EI CAS CSCD 2008年第6期659-662,共4页 Chinese Journal of Energetic Materials
基金 武器装备预研基金(9140C6711010805)
关键词 物理化学 TATB基PBX 耗散粒子动力学 介观结构 Flory-Huggins参数 physical chemistry TATB-based PBX dissipative particle dynamics mesoseopie structure Flory-Huggins parameter
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参考文献10

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