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

Zhen Fei Yu; Wei Shang Yao; Hui Min Tan; Guo Liang Cui

doi:10.15918/j.tbit1001-0645.2016.Suppl.1.010

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

Zhen Fei Yu, Wei Shang Yao, Hui Min Tan, Guo Liang Cui

材料学院

科研成果: 期刊稿件 › 文章 › 同行评审

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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.

源语言	英语
页（从-至）	39-41
页数	3
期刊	Beijing Ligong Daxue Xuebao/Transaction of Beijing Institute of Technology
卷	36
DOI	https://doi.org/10.15918/j.tbit1001-0645.2016.Suppl.1.010
出版状态	已出版 - 1 6月 2016

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abstract = "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.",

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AU - Yu, Zhen Fei

AU - Yao, Wei Shang

AU - Tan, Hui Min

AU - Cui, Guo Liang

PY - 2016/6/1

Y1 - 2016/6/1

N2 - 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.

AB - 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.

KW - Binder

KW - Binding energy

KW - Energetic plasticizer

KW - Molecular dynamics simulation

KW - Radial distribution function

KW - Solid propellant

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

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