| 基于MD方法的HMX黏结剂优选研究 |
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| 引用本文： | 杨耀天,李海兴,王保民. 基于MD方法的HMX黏结剂优选研究[J]. 化学推进剂与高分子材料, 2014, 0(2): 94-97 |
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| 作者姓名： | 杨耀天 李海兴 王保民 |
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| 作者单位： | 中北大学化工与环境学院,山西太原030051 |
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| 摘 要： | 从优选高聚物黏结剂角度考虑,用分子动力学(MD)方法,对含少量液态黏结剂的奥克托今(HMX)炸药进行了MD模拟。选择端羟基聚丁二烯(HTPB)、聚叠氮缩水甘油醚(GAP)、硅橡胶和乙烯基酯(VE)4种黏结剂。通过计算HMX与黏结剂之间的结合能,选择结合能最大的一组的黏结剂作为最优黏结剂。结果表明,HTPB可作为最优黏结剂。
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| 关 键 词： | HMX 黏结剂 结合能 分子动力学 |
Study on Optimization of HMX Binding Agent Based on MD Method |
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| YANG Yaotian,LI Haixing,WANG Baomin. Study on Optimization of HMX Binding Agent Based on MD Method[J]. Chemical Propellants & Polymeric Materials, 2014, 0(2): 94-97 |
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| Authors: | YANG Yaotian LI Haixing WANG Baomin |
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| Affiliation: | (Chemical Industry and Ecology Institute, North University of China, Taiyuan 030051, China) |
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| Abstract: | Considering optimization of polymer binding agent, the octogen （HMX） explosives containing small amount liquid binding agents were simulated by using molecular dynamics （MD） method. Four kinds of binding agents including hydroxyl-terminated polybutadiene （HTPB）, glycidyl azide polymer （GAP）, silicone rubber and vinyl ester（VE） were selected. Through calculating the binding energy between HMX and binding agent, the binding agent with maximum binding energy was selected as optimal binding agent. The results show that HTPB can be used as optimal binding agent. |
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| Keywords: | HMX binding agent binding energy molecular dynamics |
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