Thermal expansion characteristics of high energy insensitive explosive α-NTO

IF 1.7 3区 材料科学 Q3 CHEMISTRY, APPLIED Journal of Energetic Materials Pub Date : 2023-10-08 DOI:10.1080/07370652.2023.2268056
Zhiqiang Wang, Renzhe Zong, Yi Wang, Shanhu Sun, Jinjiang Xu, Yi Tong
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Abstract

ABSTRACTThermal expansion is an important structural parameter to evaluate the structural stability and performance reliability of energetic materials. In order to further understand the thermal expansion characteristics and mechanism of high-energy insensitive explosive 3-nitro-1, 2, 4-triazol-5-one (NTO), the thermal expansion characteristics of α-NTO were studied by in-situ X-ray diffraction (XRD) technique. Based on the Rietveld full-spectrum fitting structure refinement principle, the thermal expansion coefficient of α-NTO was obtained. The results show that α-NTO exhibits obvious reversible anisotropic thermal expansion under the action of thermal field. Based on infrared and Raman spectroscopy combined with theoretical calculation methods, the crystal packing structure of α-NTO at different temperatures and its correlation with thermal expansion characteristics were studied. It is believed that the functional groups that produce hydrogen bonds and hydrogen bond receptors in the crystal structure of α-NTO under thermal stimulation play a leading role. At the same time, compared with the thermal expansion characteristics of other explosive crystals, the influence of crystal packing on the thermal stability of explosive crystal structure was analyzed. The results show that the thermal expansion anisotropy of layered packing explosive crystals with strong hydrogen bonding is more obvious.KEYWORDS: Crystal packingin-situ X-ray diffractionNTOthermal expansion AcknowledgmentsThank you to the State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, and the Institute of Chemical Materials, China Academy of Engineering Physics for their support.Disclosure statementNo potential conflict of interest was reported by the author(s).Data availability statementThe data that support the findings of this study are available from the corresponding author upon reasonable request.Supplementary materialSupplemental data for this article can be accessed online at https://doi.org/10.1080/07370652.2023.2268056Additional informationFundingThis research were funded by the National Natural Science Foundation of China, grant number 22275177 and grant number 21975234.
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高能不敏感炸药α-NTO的热膨胀特性
摘要热膨胀是评价含能材料结构稳定性和性能可靠性的重要结构参数。为了进一步了解高能不敏感炸药3-硝基- 1,2,4 -三唑-5-酮(NTO)的热膨胀特性和机理,采用原位x射线衍射(XRD)技术研究了α-NTO的热膨胀特性。基于Rietveld全谱拟合结构精化原理,得到了α-NTO的热膨胀系数。结果表明:α-NTO在热场作用下表现出明显的可逆各向异性热膨胀;基于红外和拉曼光谱结合理论计算方法,研究了α-NTO在不同温度下的晶体堆积结构及其与热膨胀特性的关系。认为热刺激下α-NTO晶体结构中产生氢键和氢键受体的官能团起主导作用。同时,与其他炸药晶体的热膨胀特性进行比较,分析了晶体填充对炸药晶体结构热稳定性的影响。结果表明:具有强氢键的层状堆积爆炸晶体的热膨胀各向异性更为明显;感谢北京理工大学爆炸科学与技术国家重点实验室和中国工程物理研究院化学材料研究所的大力支持。披露声明作者未报告潜在的利益冲突。数据可得性声明支持本研究结果的数据可根据通讯作者的合理要求获得。本研究由国家自然科学基金资助,批准号:22275177,批准号:21975234。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
Journal of Energetic Materials
Journal of Energetic Materials 工程技术-材料科学:综合
CiteScore
5.70
自引率
4.80%
发文量
34
审稿时长
1.8 months
期刊介绍: The Journal of Energetic Materials fills the need for an international forum of scientific and technical interchange in the disciplines of explosives, propellants, and pyrotechnics. It is a refereed publication which is published quarterly. Molecular orbital calculations, synthetic and analytical chemistry, formulation, ignition and detonation properties, thermal decomposition, hazards testing, biotechnology, and toxicological and environmental aspects of energetic materials production are appropriate subjects for articles submitted to the Journal.
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