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含能材料  2015 

ε-CL-20/含能黏结剂复合体系结合能及力学性能的模拟

DOI: 10.11943/j.issn.1006-9941.2015.04.002

Keywords: 六硝基六氮杂异戊兹烷(CL-20) 高聚物粘结炸药(PBX) 含能黏结剂 结合能 力学性能

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Abstract:

为设计含能高聚物黏结炸药(PBX)的配方,添加不同软硬段((3-叠氮甲基-3-甲基氧丁环(AMMO): 3,3-二叠氮甲基氧丁环(BAMO))比例的含能黏结剂到配方主体的高能量密度化合物六硝基六氮杂异戊兹烷(ε-CL-20)中,构成PBX。用分子动力学(MD)方法模拟了含能黏结剂与ε-CL-20的结合能以及作用方式、ε-CL-20/含能黏结剂复合体系的力学性能。用基团加和法计算了不同软硬段比例含能黏结剂的生成焓。结果表明:由结合能预测各PBX的相容性和稳定性排序为: ε-CL-20/PBAMO(9)-g-PAMMO(2)>ε-CL-20/PBAMO(5)-g-PAMMO(7)>ε-CL-20/PAMMO(17)>ε-CL-20/PBAMO(12)。PBAMO与ε-CL-20作用主要以范德华力为主。PAMMO以范德华力, 静电相互作用和其他作用力与ε-CL-20作用。含能黏结剂可有效地降低ε-CL-20的刚性,其中含能热塑性弹性体的加入能增强ε-CL-20的延展性。单位质量含能黏结剂的生成焓随BAMO含量的增加而逐渐增加

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