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Mesoscopic Simulation of Aggregate Behaviour of Polymers in β-HMX-based PBXs
Hong-ling Cui*,Guang-fu Ji,Xiang-rong Chen,Dong-qing Wei
Author NameAffiliationE-mail
Hong-ling Cui* College of Physics and Engineering, Henan University of Science and Technology, Luoyang 471023, China hlcui168@163.com 
Guang-fu Ji National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Mianyang 621900, China  
Xiang-rong Chen Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610064, China  
Dong-qing Wei College of Life Science and Biotechnology, Shanghai Jiaotong University, Shanghai 200240, China  
Abstract:
The mesoscopic structures of β-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)-based PBXs (polymer bonded explosives) at room temperature were investigated using dissipative particle dynamics method. The parameters and repulsive parameters of dif-ferent polymers and β-HMX, the mesoscopic structures of β-HMX-based polymer-bonded explosives at different temperatures have been studied. The results showed that the compat-ibility between β-HMX and vinylidenedifluoride (VDF), β-HMX and chlorotrifluoroethylene(CTFE), VDF and CTFE increased with increasing temperature. The temperature and mo-lar ratio of the polymers played an important role in wrapped process. And there exists the optimum temperature and molar ratio.
Key words:  Dissipative particle dynamics, Mesoscopic structure, β-HMX-based PBXs
FundProject:
β-HMX基PBXs包覆行为的介观模拟
崔红玲*,姬广富,陈向荣,魏冬青
摘要:
通过耗散粒子动力学方法研究了β-HMX(环四次甲基四硝基胺)基聚合物在室温下的介观结构. 并在此基础上,研究了不同温度时β-HMX与不同聚合物之间的排斥参数及β-HMX基PBXs的介观结构. 结果表明,β-HMX与偏氟乙烯、β-HMX与三氟氯乙烯及偏氟乙烯与三氟氯乙烯结构单元间的相溶性随着温度的升高不断增强. 温度及聚合物的摩尔比在其相互包覆行为中起着重要作用,且存在最佳的温度及摩尔比.
关键词:  耗散粒子动力学,介观结构,β-HMX基PBXs
DOI:10.1063/1674-0068/26/04/462-466
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