| HMX晶体形貌预测 |
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| 引用本文： | 段晓惠,卫春雪,裴重华,李金山.HMX晶体形貌预测[J].含能材料,2009,17(6):655-659. |
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| 作者姓名： | 段晓惠 卫春雪 裴重华 李金山 |
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| 作者单位： | 1. 西南科技大学材料科学与工程学院,四川,绵阳,621010
2. 中国工程物理研究院化工材料研究所,四川,绵阳,621900 |
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| 基金项目： | 西南科技大学重点科研项目 |
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| 摘 要： | 采用附着能(AE)和BFDH(Bravais-Friedel-Donnary-Harker)模型预测了HMX的β和α晶型的晶体形貌,确定了形态学上重要的生长晶面,β-HMX为(020)、(011)、(10-2)、(11-1)、(100),α-HMX为(040)、(220)和(111).各个晶面的表面结构分析表明,(100)和(111)为强极性晶面,(020)、(011)、(11-1)以及(220)为极性晶面,而(10.2)和(040)为非极性晶面.据此可预测在强极性的质子溶剂中,(100)和(111)将成为形态学上重要的晶面,(020)、(011)、(11-1)以及(220)的显露面可能增加,(10-2)和(040)面则将变小甚至消失,而在非极性溶剂中则可能刚好相反.
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| 关 键 词： | 物理化学 晶体形貌 AE模型 BFDH模型 表面结构 |
| 收稿时间： | 2009/4/20 0:00:00 |
| 修稿时间： | 2009/5/25 0:00:00 |
Prediction of Crystal Morphology of HMX |
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| DUAN Xiao-hui,WEI Chun-xue,PEI Chong-hua and LI Jin-shan.Prediction of Crystal Morphology of HMX[J].Chinese Journal of Energetic Materials,2009,17(6):655-659. |
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| Authors: | DUAN Xiao-hui WEI Chun-xue PEI Chong-hua and LI Jin-shan |
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| Affiliation: | College of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China;College of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China;College of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China;Institute of Chemical Materials, CAEP, Mianyang 621900, China |
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| Abstract: | The crystal morphologies of α-and β-HMX were predicted by using attachment energy(AE)and Bravais-Friedel-Donna-ry-Harker(BFDH)models.The important crystal surfaces are(020),(011),(10-2),(11-1),(100)for β-HMX and(040),(220)and(111)for α-HMX.The analyses of the crystal surface structures show that(100)and(111)are greatly polar,and(020),(011),(11-1)and(220)are polar,while(10-2)and(040)are non-polar.It can be predicted that(100)and(111)are the important crystal surfaces in the proton solvents with strong polarity,and the appearance area of(020),(011),(11-1)and(220)is increased,and the(10-2)and(040)surfaces diminishes or disappeares,while the contrary cases occurs in the non-polar solvents. |
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| Keywords: | HMX physical chemistry HMX crystal morphology attachment energy(AE)model Bravais-Friedel-Donnary-Harker(BFDH)model surface structure |
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