| TNT/TNCB共晶炸药的制备及表征 |
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| 引用本文： | 马媛,黄琪,李洪珍,谭碧生,刘玉存,杨宗伟. TNT/TNCB共晶炸药的制备及表征[J]. 含能材料, 2017, 25(1): 86-88. DOI: 10.11943/j.issn.1006-9941.2017.01.014 |
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| 作者姓名： | 马媛 黄琪 李洪珍 谭碧生 刘玉存 杨宗伟 |
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| 作者单位： | 1. 中北大学化工与环境学院,山西太原030051;中国工程物理研究院化工材料研究所,四川绵阳621999;2. 中国工程物理研究院化工材料研究所,四川绵阳,621999;3. 中北大学化工与环境学院,山西太原,030051 |
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| 基金项目： | 国家自然科学基金资助(批准号：No.11402236) |
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| 摘 要： | 采用溶液共结晶法制得2,4,6-三硝基甲苯/2,4,6-三硝基氯苯(TNT/TNCB)共晶炸药,采用X射线单晶衍射表征了其结构,该晶体属于单斜晶系,P21/c空间群,晶胞参数:a=2.1148(5)nm,b=0.60974(14)nm,c=1.4968(4)nm,α=90°,β=110.374(4)°,γ=90°,V=1.8093(7)nm3,Z=4。采用差示扫描量热法分析了共晶炸药的热性能,并测定了其撞击感度,结果表明,该共晶炸药熔点为72.7℃,H_(50)=92.9 cm,均低于TNT与TNCB。运用密度泛函理论方法及Kamlet-Jacobs方程计算得到TNT/TNCB共晶炸药的爆速为7508 m/s,爆压为24.52 GPa。
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| 关 键 词： | 2,4,6-三硝基甲苯/2,4,6-三硝基氯苯(TNT/TNCB) 共晶炸药 制备 晶体结构 |
| 收稿时间： | 2016-07-23 |
| 修稿时间： | 2016-12-10 |
Preparation and Characterization of TNT/TNCB Cocrystal Explosive |
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| MA Yuan,HUANG Qi,LI Hong-zhen,TAN Bi-sheng,LIU Yu-cun and YANG Zong-wei. Preparation and Characterization of TNT/TNCB Cocrystal Explosive[J]. Chinese Journal of Energetic Materials, 2017, 25(1): 86-88. DOI: 10.11943/j.issn.1006-9941.2017.01.014 |
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| Authors: | MA Yuan HUANG Qi LI Hong-zhen TAN Bi-sheng LIU Yu-cun YANG Zong-wei |
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| Affiliation: | College of Chemical Engineering and Environment, North University of China,Institute of Chemical Materials,Chinese Academy of Engineering Physics,Institute of Chemical Materials,Chinese Academy of Engineering Physics,Institute of Chemical Materials,Chinese Academy of Engineering Physics,College of Chemical Engineering and Environment, North University of China,Institute of Chemical Materials,Chinese Academy of Engineering Physics |
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| Abstract: | 2,4,6-trinitrotoluene/2,4,6-trinitrochlorobenzene (TNT/TNCB) cocrystal explosive was prepared by cocrystallization in solution,and its crystal structure was characterized by single crystal X-ray.Results show that the crystal crystallizes is in monoclinic system,space group P21/cwith crystal parameters ofa=2.1148(5) nm,b=0.60974(14) nm,c=1.4968(4) nm,α=90°,β=110.374(4) °,γ =90°,V=1.8093 (7) nm3,Z=4.The thermal property and impact sensitivity of the product were measured by differential scanning calorimetry and sensitivity test,respectively.Results reveal that the melting point of TNT/TNCB cocrystal explosive is 72.7 ℃ and the H50 of the cocrystal is 92.9 cm,which are lower than those of TNT and TNCB.Furthermore,the detonation velocity and pressure of TNT/TNCB cocrystal explosive were also calculated to be 7508 m · s-1 and 24.52 GPa by density functional theory(DFT) and Kamlet-Jacobs equation. |
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| Keywords: | Organic chemistry TNT/TNCB cocrystal explosive Preparation crystal structure |
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