Molecular dynamics simulation of interaction between binder and HMX affected by energetic plasticizers and neutral polymeric bonding agents

被引：0

作者：

Yu Z.-F. ^{[1
]}

Yao W.-S. ^{[1
]}

Tan H.-M. ^{[1
]}

Cui G.-L. ^{[2
]}

机构：

[1] School of Materials Science and Engineering, Beijing Institute of Technology, Beijing

[2] China Aerospace Science and Technology Corporation, Beijing

来源：

Beijing Ligong Daxue Xuebao/Transaction of Beijing Institute of Technology | 2016年 / 36卷

关键词：

Binder; Binding energy; Energetic plasticizer; Molecular dynamics simulation; Radial distribution function; Solid propellant;

D O I：

10.15918/j.tbit1001-0645.2016.Suppl.1.010

中图分类号：

学科分类号：

摘要：

Accelrys materials studio was used to simulate interaction between binder and HMX which was affected by energetic plasticizers and neutral polymeric bonding agents (NPBA). Micro-scale model of related binder-energetic plasticizer-NPBA-HMX was established according to examples in literature. Binding energy and radial distribution function (RDF) profile was calculated. It showed that energetic plasticizer weaken interactions between binder and HMX, while NPBA enhances the interaction so that its performance is better than nitrocellulose (NC). The simulation data are consistent with the reported experimental results of mechanical properties. This work can supply references for application of NPBA in high energy solid propellant. © 2016, Editorial Department of Transaction of Beijing Institute of Technology. All right reserved.

引用

页码：39 / 41

页数：2

共 4 条

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[4] Lan Y., Li D., Yang R., Computer simulation study on the compatibility of cyclo-triphosphazene containing aminopropylsilicone functional group in flame retarded polypropylene/ammonium polyphosphate composites, Composites Science and Technology, 88, pp. 9-15, (2013)

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