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纳米TATB中杂质结构与形成机理（英）
作者:
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 621999; 3. 长江师范学院无机特种功能材料实验室, 重庆 408100)

作者简介:

WANG Yan-qun(1991-), female, master, research field: preparation of high purity nano-TATB. e-mail: 15228356303@163.com Corresponding Author: YANG Guang-cheng(1976-), male, professor, research field: preparation of nano explosive. e-mail: ygcheng@caep.cn

通讯作者:

YANG Guang-cheng(1976-), male, professor, research field: preparation of nano explosive. e-mail: ygcheng@caep.cn

基金项目:

National Natural Science Foundation of China (11272292,11372288)National High Technology Research and Development Program of China (863Program) (2013AA050905) and the Chunhui Program of Ministry of Education of China (Z2014084). Development Foundation of CAEP (2014B0302041), and Young Talent Foundation of Institute of Chemical Materials (KJZX-201403).Biography: WANG Yan-qun(1991-), female, master, research field: preparation of high purity nano-TATB. e-mail: 15228356303@163.com


Structure and Formation Mechanism of Impurity in Nano-TATB
Author:
Affiliation:

(1. School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010, China; 2. Institute of Chemical Materials, China Academy of Engineering Physics, Mianyang 621999, China; 3.Chongqing Key Laboratory of Inorganic Special Functional Materials, Yangtze Normal University, Chongqing 408100, China)

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    摘要:

    纳米TATB是一种高能钝感炸药, 在其制备过程中会产生一些杂质。采用液态13C NMR、X射线光电子能谱和理论模拟方法研究了可能杂质的结构。结果表明, 这种杂质是TATB分子的质子化合物, 命名为1, 3, 5-三氨基-2, 4, 6-三硝基-2, 5-环己二烯硫酸氢盐。依据量子化学方法, 这种杂质可能的形成机理是在溶解过程中, TATB分子被浓硫酸中的H原子质子化。

    Abstract:

    Nano-TATB (1, 3, 5-triamino-2, 4, 6-trinitrobenzene) is an insensitive high explosive (IHE), some impurities in its preparation process were produced. In this work, the structures of the impurities were studied by liquid-state 13C nuclear magnetic resonance spectroscopy, X-ray photoelectron spectroscopy and theoretical simulation method. Results show that the impurity is the proton compound of TATB molecule and it is named as 1, 3, 5-triamino-2, 4, 6-trinitro-2, 5-cyclohexadiene bisulfate. According to the quantum chemical method, the possible formation mechanism of this kind of impurity is the protonation of TATB molecule by H atom in concentrated H2SO4 during the dissolution process.

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王彦群,王军,黄辉胜,等.纳米TATB中杂质结构与形成机理（英）[J].含能材料, 2016, 24(6):604-608. DOI:10.11943/j. issn.1006-9941.2016.06.016.
WANG Yan-qun, WANG Jun, HUANG Hui-sheng, et al. Structure and Formation Mechanism of Impurity in Nano-TATB[J]. Chinese Journal of Energetic Materials, 2016, 24(6):604-608. DOI:10.11943/j. issn.1006-9941.2016.06.016.

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历史
  • 收稿日期: 2015-11-03
  • 最后修改日期: 2015-12-03
  • 录用日期: 2015-12-07
  • 在线发布日期: 2016-05-20
  • 出版日期: 2016-06-03

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