| 含能材料分子设计与性能预测研究 |
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| 引用本文： | 杨宗伟,刘玉存. 含能材料分子设计与性能预测研究[J]. 山西化工, 2009, 29(4): 11-14 |
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| 作者姓名： | 杨宗伟 刘玉存 |
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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： | 利用分子设计软件预测含能材料的物化性能及爆炸参数，并与实测值进行了比较。结果表明，TNT分子理论预测值与实测值基本一致；八硝基立方烷的爆炸参数，除爆速相差较大外，其他参数与实测值接近。
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| 关 键 词： | 分子设计 含能材料 爆炸参数 撞击感度 |
Study on molecular design and performance prediction of energetic materials |
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| YANG Zong-wei,LIU Yu-cun. Study on molecular design and performance prediction of energetic materials[J]. Shanxi Chemical Industry, 2009, 29(4): 11-14 |
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| Authors: | YANG Zong-wei LIU Yu-cun |
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| Affiliation: | College of Chemical Industry and Environment;North University of China;Taiyuan Shanxi 030051;China |
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| Abstract: | The physico-chemical performances and explosion parameters of energetic materials were predicted by the software for molecular design and compared with the actual measurement data.The results show that the theoretical prediction parameters of TNT are the same as that of actual measurement data while the theoretical prediction parameters of C8H8O16N8 are approximately similar as that of actual measurement data except the velocity of explosion causing great errors. |
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| Keywords: | molecular design energetic materials explosion parameters impacting sensitivity |
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