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TNT/TNCB共晶炸药的制备及表征
作者:
作者单位:

(1. 中北大学化工与环境学院, 山西 太原 030051; 2. 中国工程物理研究院化工材料研究所, 四川 绵阳 621999)

作者简介:

马媛(1989-),女,硕士研究生,主要从事含能材料晶体的制备与改性研究。e-mail: my04free@163.com 通信联系人: 刘玉存(1961-),男,教授,主要从事新型含能材料的合成、制备及应用研究。e-mail: lyc2ct@vip.sina.com 杨宗伟(1982-),男,副研究员,主要从事含能材料晶体改性研究。 e-mail: yzw_019@163.com

通讯作者:

刘玉存(1961-),男,教授,主要从事新型含能材料的合成、制备及应用研究。e-mail: lyc2ct@vip.sina.com 杨宗伟(1982-),男,副研究员,主要从事含能材料晶体改性研究。 e-mail: yzw_019@163.com

基金项目:

国家自然科学基金资助(批准号: No.11402236)


Preparation and Characterization of TNT/TNCB Cocrystal Explosive
Author:
Affiliation:

(1. College of Chemical Engineering and Environment, North University of China, Taiyuan 030051, China; 2. Institution of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China)

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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 ℃, H50=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。

    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 groupP21/c with crystal parameters of 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. 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 theH50 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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引用本文

马媛,黄琪,李洪珍,等. 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.
MA Yuan, HUANG Qi, LI Hong-zhen, et al. 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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历史
  • 收稿日期: 2016-07-23
  • 最后修改日期: 2016-11-07
  • 录用日期: 2016-11-10
  • 在线发布日期: 2017-01-19
  • 出版日期: 2017-01-20