NTO基混合炸药配方高分子包覆酸性防护的分子动力学模拟研究  

Molecular Dynamics Simulations of Polymer Coating with Acid Protection for NTO-Based Explosive Formulations

作　　者：刘寰民 陈锟 金韶华[1] 陈树森[1] 佘冲冲 LIU Huanmin;CHEN Kun;JIN Shaohua;CHEN Shusen;SHE Chongchong(School of Material,Beijing Institute of Technology,Beijing 100081,China)

机构地区：[1]北京理工大学材料学院,北京100081

出　　处：《北京理工大学学报》2024年第7期670-678,共9页Transactions of Beijing Institute of Technology

基　　金：NTO基钝感混合炸药装药安全设计研究(2019-JCJQ-JD)。

摘　　要：为了从微观理论角度探究不同酸性腐蚀防护涂层材料与NTO基炸药配方的包覆效果,应用分子动力学MD方法(molecular dynamic)模拟来研究NTO基炸药配方JEO与不同高分子包覆材料聚偏氟乙烯(PVDF)、聚醚酰亚胺(PEI)、P84聚酰亚胺、氟化聚酰亚胺(6FDA)、聚二甲基硅氧烷(PDMS)、聚甲基丙烯酸甲酯(PMMA)的结合能、内聚能密度和力学性能。在结合能力方面,PVDF为最优的包覆剂.在内聚能密度方面,PVDF、PMMA和PDMS有增强稳定性的作用.在界面结合处力学性能方面,PVDF和PMMA的加入使体系具有较好的牢固度,包覆效果最为紧密。在成型性方面,PEI的加入具有较好的效果.In order to investigate the polymer coating effect in micro-theory of anti-acidity materials about the binding energy,cohesive density and mechanical properties,a molecular dynamic(MD)simulation method was proposed for NTO-based explosive formulations of explosive JEO with different polymer cladding materials,including polyvinylidene fluoride(PVDF),polyetherimide(PEI),P84 polyimide,4,4'-(hexafluoroisopropyl)diphthalic anhydride(6FDA),polydimethyl siloxane(PDMS),poly(methyl methacrylate)(PMMA),to select better cladding materials and to improve the performance of low vulnerability ammunition(LOVA).The study results for cladding materials show that in terms of binding capacity,PVDF can be the best as the optimum cladding agent.Considering the cohesive energy density to the effect of system stability,the better cohesive energy density of PVDF,PMMA and PDMS can enhance system stability.In terms of mechanical properties,the incorporation of PVDF and PMMA can provide the system a better fastness and tightness.In terms of formability,the addition of PEI can give a better plasticity effect.

关 键 词：JEO炸药配方 NTO HMX 结合能量 力学性能 内聚能密度 分子动力学(MD) 

分 类 号：TJ4[兵器科学与技术—火炮、自动武器与弹药工程]