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Synthesis, characterization, and thermal decomposition performance of 1,2,3-triazolyl-substituted 1,3,5-triazines with carbonyl, ester, and azide functional groups 具有羰基、酯和叠氮官能团的 1,2,3-三唑基取代 1,3,5- 三嗪的合成、表征和热分解性能
Q2 Engineering Pub Date : 2023-12-15 DOI: 10.1016/j.enmf.2023.12.001
Tat'yana V. Sokolnikova, Maxim V. Penzik, Alexey G. Proidakov, Valery N. Kizhnyaev

Based on the organocatalytic reaction of enamine azide addition of 2,4,6-triazido-1,3,5-triazine to acetylacetone acetoacetic ester, we synthesized a series of previously unknown mono-, di-, and tri(1,2,3-triazolyl)-substituted-1,3,5-triazines that additionally carried carbonyl, ester, and azide groups. The structure of the obtained compounds was proved by NMR (1H, 13C) and IR spectroscopy, and the composition was confirmed by elemental analysis. With the aid of differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA) coupled to mass spectrometry (TG-MS), we obtained data on the thermal behavior and decomposition mechanism for these compounds. We demonstrated that di(1,2,3-triazolyl)-substituted 1,3,5-triazines have an increased thermal stability and have higher values of decomposition onset temperature (220–250 °C) in comparison with tri(1,2,3-triazolyl)-substituted 1,3,5-triazines (180 °C and 160 °C, respectively).

基于 2,4,6-三氮杂-1,3,5-三嗪与乙酰丙酮乙酰乙酸酯的烯胺叠氮加成有机催化反应,我们合成了一系列之前未知的单-、二-和三(1,2,3-三唑基)-取代的-1,3,5-三嗪,这些化合物额外带有羰基、酯基和叠氮基团。核磁共振(1H、13C)和红外光谱证明了所获化合物的结构,元素分析确认了其成分。借助差示扫描量热法(DSC)和热重分析法(TGA)耦合质谱法(TG-MS),我们获得了这些化合物的热行为和分解机理数据。我们发现,与三(1,2,3-三唑基)取代的 1,3,5 三嗪(分别为 180 ℃ 和 160 ℃)相比,二(1,2,3-三唑基)取代的 1,3,5 三嗪具有更高的热稳定性和更高的分解起始温度(220-250 ℃)。
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引用次数: 0
Synthesis and characterization of 2-amino-4,5-bis(tetrazol-5-yl)-1,2,3-triazole: A high-nitrogen energetic material with low sensitivities and high thermal stability 2-amino-4,5-bis(tetrazol-5-yl)-1,2,3-triazole 的合成与表征:一种具有低敏感性和高热稳定性的高氮能材料
Q2 Engineering Pub Date : 2023-12-15 DOI: 10.1016/j.enmf.2023.12.002
Xun Huang, Long Chen, Hai-feng Huang, Jun Yang

In this study, a high-nitrogen insensitive energetic material, 2-amino-4,5-bis(tetrazole-5-yl)-1,2,3-triazole (H2ABTT), was successfully synthesized by introducing the N-amino group on the 1,2,3-triazole ring. This compound exhibits excellent properties in many aspects. Compared to 4,5-bis(tetrazol-5-yl)-1,2,3-triazole (H3BTT), which has a decomposition temperature (Td) of 277 oC, nitrogen content of 75.11 %, density of 1.69 g cm−3, a detonation velocity of 8630 m s−1, a detonation pressure of 26.3 GPa, an impact sensitivity (IS) of 2 J, and a friction sensitivity (FS) of 240 N, H2ABTT exhibits higher thermal stability of Td:303 oC, higher nitrogen content of N%:76.35 %, higher density of 1.86 g cm−3, more desirable detonation properties (detonation pressure Dv: 9185 m s−1; detonation pressure p: 31.7 GPa), and lower mechanical sensitivities (IS > 100 J; FS > 360 N). Furthermore, H2ABTT outperforms insensitive explosive TATB (Dv = 8179 m s−1; p = 30.5 GPa; IS = 50 J; FS > 360 N) in some properties, making it a potential high-performance insensitive explosive. Besides, energetic salts 4–6 were successfully synthesized based on H2ABTT. The calculated results show that some of these salts even possess higher detonation performance compared to H2ABTT.

本研究通过在 1,2,3- 三唑环上引入 N-氨基,成功合成了一种高氮不敏感高能材料--2-氨基-4,5-双(四唑-5-基)-1,2,3-三唑(H2ABTT)。该化合物在许多方面都表现出优异的性能。与 4,5-双(四唑-5-基)-1,2,3-三唑(H3BTT)相比,其分解温度(Td)为 277 oC,含氮量为 75.11 %,密度为 1.69 g cm-3,爆速为 8630 m s-1,爆压为 26.H2ABTT 具有更高的热稳定性(Td:303 oC)、更高的氮含量(N%:76.35 %)、更高的密度(1.86 g cm-3)、更理想的起爆特性(起爆压力 Dv:9185 m s-1;起爆压力 p:31.7 GPa)和更低的机械敏感性(IS > 100 J;FS > 360 N)。此外,H2ABTT 在某些特性上优于不敏感炸药 TATB(Dv = 8179 m s-1;p = 30.5 GPa;IS = 50 J;FS > 360 N),使其成为一种潜在的高性能不敏感炸药。此外,基于 H2ABTT 成功合成了高能盐 4-6。计算结果表明,与 H2ABTT 相比,其中一些盐甚至具有更高的引爆性能。
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引用次数: 0
Influence of nitroamino−nitroimino tautomerism: A useful theoretical supplement for nitroamino-based energetic materials 硝基氨基-硝基氨基互变异构体的影响:对硝基氨基含能材料的有益理论补充
Q2 Engineering Pub Date : 2023-11-01 DOI: 10.1016/j.enmf.2023.11.002
Ya-xi Wang, Xun Zhang, Jun-liang Liu, Meng-xin Xue, Lu Hu, Si-ping Pang
Nitroamino is an ideal high-energy group for constructing energetic compounds. The skeletal isomerization of nitroamino to nitroimino forms intramolecular HBs, thus resulting in better density, thermal stability and sensitivity. However, it is difficult to find nitroamino and nitroimino in the same environment for comparative analysis. A new compound, 5-Nitroamino-8-nitroimino-1,4-dihydropyrazino [2,3-d]pyridazine-2,3-dione (3), was designed and synthesized. The symmetric skeleton of pyrazino [2,3-d]pyridazine provides the same environment for both nitroamino and nitroimino groups. By using a variety of computational and graphical methods, a theoretical support for nitroamino-based energetic materials was produced by thoroughly examining the influence between nitroamino and nitroimino.
硝基氨基是构建含能化合物的理想高能基团。硝基氨基到硝基氨基的骨架异构化形成分子内HBs,从而产生更好的密度、热稳定性和灵敏度。然而,很难在同一环境中找到硝基氨基和硝基亚胺进行比较分析。设计合成了新的化合物5-硝基氨基-8-硝基氨基-1,4-二氢吡嗪[2,3-d]吡嗪-2,3-二酮(3)。pyrazino [2,3-d]吡嗪的对称骨架为硝基氨基和硝基氨基提供了相同的环境。通过多种计算和图解方法,深入研究了硝基氨基和硝基氨基之间的影响,为硝基氨基基含能材料的研究提供了理论支持。
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引用次数: 0
Preparation of NCh-B and NCh-B-Ti nanocomposites and their ignition and combustion performances NCh-B和NCh-B- ti纳米复合材料的制备及其点火燃烧性能
Q2 Engineering Pub Date : 2023-11-01 DOI: 10.1016/j.enmf.2023.11.001
Yu-shu Xiong, Yong-qi Wang, Chong Wan, Wen-zhen Zhang, Zhao Qin, Su-hang Chen, Kang-zhen Xu
To overcome the agglomeration and insufficient combustion of nano-boron (n-B) powders, this study successfully prepared two novel types of boron-based nanocomposites using the acoustic resonance technology, namely high-substitute nitrochitosan/nano-boron (NCh-B) with ratios of 1:3, 1:5, 1:7, and 1:9 and nitrochitosan/nano-boron powder/nano-titanium (NCh-B-Ti) with Ti contents of 5 wt%, 10 wt%, 15 wt%, and 20 wt%. The structural morphologies, laser ignition, and combustion properties of the composites were systematically investigated. The results suggest that the addition of NCh can significantly improve the dispersion of n-B. NCh-B exhibited a higher combustion performance than n-B, as evidenced by their ignition delay and flame areas. When the laser power density was 81 W, NCh-B5-Ti15% exhibited a combustion time and an ignition delay of 240 ms and 5.5 ms respectively, which were higher and lower than those of NCh-B5 (199 ms and 17 ms, respectively). Furthermore, NCh-B5-Ti15% displayed a lower ignition delay than both n-B powders (12 ms) and NCh-B (11 ms), as well as brighter flames and a larger combustion area. Therefore, the addition of n-Ti can promote the combustion of the n-B powders, with the combustion products of NCh-B-Ti including H3BO3, B2O3, TiB2, and TiO. This study provides a new method for improving the ignition performance and combustion efficiency of n-B powders.
为了克服纳米硼(n-B)粉团聚和燃烧不充分的问题,本研究利用声共振技术成功制备了两种新型的硼基纳米复合材料,即高替代亚硝基壳聚糖/纳米硼(NCh-B)(比例分别为1:3、1:5、1:7和1:9)和亚硝基壳聚糖/纳米硼粉/纳米钛(NCh-B-Ti)(钛含量分别为5wt %、10wt %、15wt %和20wt %)。系统地研究了复合材料的结构形态、激光点火性能和燃烧性能。结果表明,NCh的加入能显著改善n-B的色散。NCh-B的燃烧性能优于n-B,其燃烧延迟和火焰面积均优于n-B。当激光功率密度为81 W时,NCh-B5- ti15%的燃烧时间和点火延迟分别为240 ms和5.5 ms,高于NCh-B5 (199 ms和17 ms)。NCh-B5-Ti15%比n-B粉末(12 ms)和NCh-B粉末(11 ms)具有更低的点火延迟,火焰更亮,燃烧面积更大。因此,n-Ti的加入可以促进n-B粉末的燃烧,NCh-B-Ti的燃烧产物包括H3BO3、B2O3、TiB2和TiO。该研究为提高n-B粉末的点火性能和燃烧效率提供了一种新的方法。
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引用次数: 0
Effects of Al powder on the reaction process and reactivity of B/KNO3 energetic sticks Al粉对B/KNO3含能棒反应过程及反应活性的影响
Q2 Engineering Pub Date : 2023-10-01 DOI: 10.1016/j.enmf.2023.10.004
Chen-yang Li, Min-jie Li, Hao-yu Song, Chuan-hao Xu, Lei Gao, Bao-yun Ye, Jing-yu Wang, Chong-wei An
Boron/potassium nitrate (B/KNO3) is a type of critical energetic composite material (ECM). However, the inert oxide layer on the B surface of B/KNO3 hinders the contact between pure fuel and oxidant, thus limiting energy release This limitation could be eliminated by adding highly reactive Al powder. To discern the effects of Al powder size on the reaction process and reactivity of B/KNO3, this study prepared Al/B/KNO3/polyvinylidene fluoride (PVDF) energetic sticks using the direct ink writing (DIW) technology. This study characterized the macroscopic morphology and structure of the energetic sticks using a laser scanning microscope and a scanning electron microscope, examined the reaction process of the composites using a differential scanning calorimeter and a thermogravimetric analyzer, and observed the flame propagation behavior of energetic sticks and energetic architectures using a high-speed camera. Furthermore, it tested the pressure output characteristics of the energetic composites using a closed volume tank. The results show that adding Al powder can improve the combustion efficiency of B/Al composite fuels and reduce the agglomeration of the combustion products. The Al powder with various particle sizes affects various reaction stages of the composite. The combustion and pressure output tests suggest that adding Al powder with a particle size of 1 μm yielded high reactivity and that flame jump propagation appeared in energetic architectures when the channel spacing was below 10 mm. These findings provide a guide for modifying the B/KNO3 energetic composites and regulating the reactivity of energetic sticks.
硼/硝酸钾(B/KNO3)是一类临界能复合材料(ECM)。然而,B/KNO3表面的惰性氧化层阻碍了纯燃料与氧化剂的接触,从而限制了能量的释放,这一限制可以通过添加高活性的Al粉来消除。为了研究Al粉末粒度对B/KNO3反应过程和反应活性的影响,本研究采用直接墨水书写(DIW)技术制备了Al/B/KNO3/聚偏氟乙烯(PVDF)能量棒。利用激光扫描显微镜和扫描电子显微镜表征了含能棒的宏观形貌和结构,利用差示扫描量热仪和热重分析仪考察了复合材料的反应过程,并利用高速摄像机观察了含能棒和含能结构的火焰传播行为。此外,利用密闭容积罐测试了含能复合材料的压力输出特性。结果表明,添加Al粉可以提高B/Al复合燃料的燃烧效率,减少燃烧产物的结块。不同粒径的铝粉对复合材料的不同反应阶段产生影响。燃烧和压力输出实验表明,加入粒径为1 μm的Al粉具有较高的反应性,当通道间距小于10 mm时,火焰在含能结构中出现跳跃传播。这些研究结果为B/KNO3高能复合材料的改性和高能棒反应性的调控提供了指导。
{"title":"Effects of Al powder on the reaction process and reactivity of B/KNO3 energetic sticks","authors":"Chen-yang Li, Min-jie Li, Hao-yu Song, Chuan-hao Xu, Lei Gao, Bao-yun Ye, Jing-yu Wang, Chong-wei An","doi":"10.1016/j.enmf.2023.10.004","DOIUrl":"https://doi.org/10.1016/j.enmf.2023.10.004","url":null,"abstract":"Boron/potassium nitrate (B/KNO3) is a type of critical energetic composite material (ECM). However, the inert oxide layer on the B surface of B/KNO3 hinders the contact between pure fuel and oxidant, thus limiting energy release This limitation could be eliminated by adding highly reactive Al powder. To discern the effects of Al powder size on the reaction process and reactivity of B/KNO3, this study prepared Al/B/KNO3/polyvinylidene fluoride (PVDF) energetic sticks using the direct ink writing (DIW) technology. This study characterized the macroscopic morphology and structure of the energetic sticks using a laser scanning microscope and a scanning electron microscope, examined the reaction process of the composites using a differential scanning calorimeter and a thermogravimetric analyzer, and observed the flame propagation behavior of energetic sticks and energetic architectures using a high-speed camera. Furthermore, it tested the pressure output characteristics of the energetic composites using a closed volume tank. The results show that adding Al powder can improve the combustion efficiency of B/Al composite fuels and reduce the agglomeration of the combustion products. The Al powder with various particle sizes affects various reaction stages of the composite. The combustion and pressure output tests suggest that adding Al powder with a particle size of 1 μm yielded high reactivity and that flame jump propagation appeared in energetic architectures when the channel spacing was below 10 mm. These findings provide a guide for modifying the B/KNO3 energetic composites and regulating the reactivity of energetic sticks.","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2023-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135809626","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Achieving superior thermal conductivity in polymer bonded explosives using a preconstructed 3D graphene framework 使用预构造的3D石墨烯框架在聚碳酸酯炸药中实现卓越的导热性
Q2 Engineering Pub Date : 2023-09-01 DOI: 10.1016/j.enmf.2023.07.002
Guan-song He, Yu Dai, Peng Wang, Chao-yang Zhang, Cong-mei Lin, Kun Yang, Jian-hu Zhang, Ruo-lei Zhong, Shi-jun Liu, Zhi-jian Yang

When subjected to complicated thermal alternation, the low thermal conductivity (k) of polymerbonded explosives (PBXs) will induce high thermal stress, which will undermine the safety and reliability of the explosives by causing cracks or damage. However, it has been proven to be a challenge to efficiently increase the k of PBXs due to the high interfacial thermal resistance (ITR) and intrinsic defects of their conductive nanofillers. By introducing AgNWs with a high aspect ratio into graphene, this study constructed a novel multi-dimensional high-k nanofiller composed of one-dimensional (1D) silver nanowires (AgNWs) and two-dimensional (2D) graphene, namely gra@AgNWs. The AgNWs decorated could remedy the intrinsic defects of graphene by passing through the interspaces within graphene nanosheets to form connections as bridges. Consequently, the k of energetic polymer composites increased significantly by 89% from 0.425 ​W ​m−1 ​K−1 to 0.805 ​W ​m−1 ​K−1 at ultralow filler loading of 0.5 ​wt%. Furthermore, the temperature gradients and thermal stress in the composite cylinder decreased significantly under complicated thermal changes owing to the enhanced k. As quantitatively demonstrated through the fitting of experimental data using a theoretical model, AgNWs significantly decreased the ITR, paving highways” for phonon transfer between adjacent graphene nanosheets. Hence an expected synergistic effect of heat transfer was produced in the composites. This study provides new insights into the design and preparation of highly thermally conductive composites.

聚合物粘结炸药(PBXs)的低导热系数(k)在经受复杂的热变作用时,会诱发较高的热应力,从而产生裂纹或损伤,破坏炸药的安全性和可靠性。然而,由于其导电纳米填料的高界面热阻(ITR)和固有缺陷,有效地提高pbx的k已被证明是一个挑战。本研究通过在石墨烯中引入高纵横比的AgNWs,构建了一种由一维(1D)银纳米线(AgNWs)和二维(2D)石墨烯组成的新型多维高k纳米填料,即gra@AgNWs。经过修饰的AgNWs可以通过石墨烯纳米片内部的间隙形成连接作为桥梁,从而弥补石墨烯的固有缺陷。结果表明,在超低掺量0.5 wt%的情况下,含能聚合物复合材料的k值从0.425 W m−1 k−1增加到0.805 W m−1 k−1,增加了89%。此外,由于k的增加,复合材料圆柱体中的温度梯度和热应力在复杂的热变化下显着降低。通过使用理论模型拟合实验数据定量证明,AgNWs显著降低了ITR,为相邻石墨烯纳米片之间的声子传递铺平了“高速公路”。因此,复合材料的传热产生了预期的协同效应。该研究为高导热复合材料的设计和制备提供了新的见解。
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引用次数: 0
Machine learning-assisted quantitative prediction of thermal decomposition temperatures of energetic materials and their thermal stability analysis 含能材料热分解温度的机器学习辅助定量预测及其热稳定性分析
Q2 Engineering Pub Date : 2023-09-01 DOI: 10.1016/j.enmf.2023.09.004
Zhi-xiang Zhang, Yi-lin Cao, Chao Chen, Lin-yuan Wen, Yi-ding Ma, Bo-zhou Wang, Ying-zhe Liu
In this study, machine learning (ML)-assisted regression modeling was conducted to predict the thermal decomposition temperatures and explore the factors that correlate with the thermal stability of energetic materials (EMs). The modeling was performed based on a dataset consisting of 885 various compounds using linear and nonlinear algorithms. The tree-based models established demonstrated acceptable predictive abilities, yielding a low mean absolute error (MAE) of 31°C. By analyzing the dataset through hierarchical classification, this study insightfully identified the factors affecting EMs’ thermal decomposition temperatures, with the overall accuracy improved through targeted modeling. The SHapley Additive exPlanations (SHAP) analysis indicated that descriptors such as BCUT2D, PEOE_VSA, MolLog_P, and TPSA played a significant role, demonstrating that the thermal decomposition process is influenced by multiple factors relating to the composition, electron distribution, chemical bond properties, and substituent type of molecules. Additionally, descriptors such as Carbon_contents and Oxygen_Balance proposed for characterizing EMs showed strong linear correlations with thermal decomposition temperatures. The trends of their SHAP values indicated that the most suitable ranges of Carbon_contents and Oxygen_Balance were 0.2–0.35 and −65 to −55, respectively. Overall, the study shows the potential of ML models for decomposition temperature prediction of EMs and provides insights into the characteristics of molecular descriptors.
本研究采用机器学习(ML)辅助回归模型对含能材料(EMs)的热分解温度进行预测,并探讨与热稳定性相关的因素。建模是基于一个由885种不同化合物组成的数据集,使用线性和非线性算法进行的。建立的基于树的模型显示出可接受的预测能力,平均绝对误差(MAE)较低,为31°C。本研究通过分层分类对数据集进行分析,深刻识别出影响EMs热分解温度的因素,并通过有针对性的建模提高了整体精度。SHapley Additive exPlanations (SHAP)分析表明,BCUT2D、PEOE_VSA、MolLog_P和TPSA等描述符在热分解过程中发挥了重要作用,表明热分解过程受到分子组成、电子分布、化学键性质和取代基类型等多种因素的影响。此外,碳含量(Carbon_contents)和氧平衡(Oxygen_Balance)等描述符与热分解温度呈强线性相关。其SHAP值的变化趋势表明,碳含量和氧平衡的最适宜范围分别为0.2 ~ 0.35和- 65 ~ - 55。总的来说,该研究显示了ML模型在em分解温度预测中的潜力,并提供了对分子描述符特征的见解。
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引用次数: 0
Deuterated energetic materials: Syntheses, structures, and properties 氘代高能材料:合成、结构和性能
Q2 Engineering Pub Date : 2023-09-01 DOI: 10.1016/j.enmf.2023.08.001
Zheng-hang Luo , Jia-jun Zhou , Hao Li , Yuan-hua Xia , Liang-fei Bai , Hai-jun Yang

The deuteration of energetic materials contributes to high signal-to-noise ratios (SNRs) in neutron diffraction, thus allowing the structures of energetic materials to be effectively investigated. This study developed the synthesis methods of deuterated energetic materials through chemical synthesis or newly developed one-pot H/D exchange. Using these methods, it synthesized nine deuterated energetic materials in a concise and low-cost manner: deuterated 1,3,5-triamino-2,4,6-trinitrobenzene (TATB-d6, 1), 1,3,5,7-tetranitro-1,3,5,7-tetraazacyclooctane (HMX-d8, 2), 1,3,5-trinitro-1,3,5-triazacyclohexane (RDX-d6, 3), dihydroxylammonium 5,5′-bis(tetrazole-1-oate) (TKX-50-d8, 4), nitroguanidine (NQ-d4, 5), 1,1-diamino-2,2-dinitroethylene (FOX-7-d4, 6), 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105-d4, 7), trinitrotoluene (TNT-d3, 8), and 3-nitro-1,2,4-triazol-5-one (NTO-d2, 9). Furthermore, the single crystals of HMX-d8 (2) and RDX-d6 (3) were obtained, and the α-, β-, γ-, and δ-polymorphs of HMX-d8 (2) were prepared accordingly. The deuterated energetic materials were characterized and analyzed using infrared spectroscopy (IR), nuclear magnetic resonance (NMR) spectroscopy, differential scanning calorimetry (DSC), thermogravimetry (TG), X-ray diffraction (XRD), and neutron diffraction. Besides, this study determined the decomposition activation energy (Ea), pre-exponential factor (A), decomposition rate constant (k), and critical explosion temperature (Tb) of TATB-d6 (1), HMX-d8 (2), and RDX-d6 (3) via DSC experiments at different heating rates. The NMR and neutron diffraction data show that these deuterated energetic materials have high deuteration rates of more than 95%. The DSC and TG analyses indicate that the deuterated energetic materials exhibit slightly higher decomposition temperatures than their nondeuterated counterparts. Furthermore, neutron diffraction shows that the deuterated energetic materials feature high SNRs.

含能材料的氘化作用使得中子衍射中的信噪比较高,从而使含能材料的结构得以有效地研究。本研究发展了化学合成或新开发的一锅H/D交换法合成氘化含能材料的方法。利用这些方法,以简洁、低成本的方式合成了9种氘化含能材料:5-triamino-2氘1,3日,4日,6-trinitrobenzene (TATB-d6, 1), 1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetraazacyclooctane (HMX-d8, 2), 1, 3, 5-trinitro-1, 3, 5-triazacyclohexane (RDX-d6 3) dihydroxylammonium 5、5 ' bis (tetrazole-1-oate) (TKX-50-d8 4)硝基胍(NQ-d4 5), 1, 1-diamino-2, 2-dinitroethylene (FOX-7-d4 6), 2, 6-diamino-3, 5-dinitropyrazine-1-oxide (llm - 105 d4 7)、三硝基甲苯(TNT-d3 8)和3-nitro-1, 2, 4-triazol-5-one (NTO-d2 9)。此外,得到了HMX-d8(2)和RDX-d6(3)的单晶,并相应地制备了HMX-d8(2)的α-、β-、γ-和δ-多晶。采用红外光谱(IR)、核磁共振(NMR)、差示扫描量热(DSC)、热重(TG)、x射线衍射(XRD)和中子衍射对氘化能材料进行了表征和分析。此外,通过DSC实验确定了TATB-d6(1)、HMX-d8(2)和RDX-d6(3)在不同升温速率下的分解活化能(Ea)、指前因子(A)、分解速率常数(k)和临界爆炸温度(Tb)。核磁共振和中子衍射数据表明,这些氘化能材料具有较高的氘化率,可达95%以上。DSC和TG分析表明,氘化能材料的分解温度略高于非氘化能材料。此外,中子衍射结果表明,氘化能材料具有较高的信噪比。
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引用次数: 0
Cover Story 封面故事
Q2 Engineering Pub Date : 2023-09-01 DOI: 10.1016/S2666-6472(23)00049-0
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引用次数: 0
Recent progress in research on the dynamic process of high-energy explosives through pump-probe experiments at high-intensity laser facilities 高强度激光泵浦探针实验研究高能炸药动力学过程的最新进展
Q2 Engineering Pub Date : 2023-09-01 DOI: 10.1016/j.enmf.2023.06.003
Gen-bai Chu , Tao Xi , Shao-yi Wang , Min Shui , Yong-hong Yan , Guo-qing Lv , Yao Wang , Ming-hai Yu , Xiao-hui Zhang , Fang Tan , Jian-ting Xin , Liang Wang , Yu-chi Wu , Jing-qin Su , Wei-min Zhou

To accurately predict the detonation and safety performances of high-energy explosives, it is necessary to investigate their reaction mechanisms on different scales, which, however, presents a challenge due to the complex reaction kinetics of the explosives and a lack of experimental methods presently. This work introduces the time-resolved pump-probe experiments capabilities aiming at high-energy explosives based on large-scale laser facilities and presents the recent progress in research on the dynamic process of the explosives, obtaining the following understandings: (1) First, the micron-sized single-crystal 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) can be compressed to an overdriven detonation state at a laser facility, followed by the shock Hugoniot measurements of TATB; (2) Second, high resolution transient X-ray radiography makes it possible to achieve the dynamic imaging of the internal deformation, damage, and reaction dynamics of high-energy explosive under dynamic loading; (3) Third, the phase transformation and chemical reaction products of the shock-compressed explosives can be investigated using dynamic X-ray diffraction or scattering spectra; (4) Finally, the structural changes, molecular reactions, molecular bond cleavage, and intermediate product components of explosives under ultrafast pumping can be explored using ultrafast laser spectroscopy. Large-scale laser facilities can provide various flexible pump-probe methods, including laser shock loading, transient X-ray imaging, dynamic X-ray diffraction, and ultrafast spectroscopy, allowing a series of experiments to be carried out to evaluate different levels of ignitions from low-pressure to overdriven detonations. Furthermore, the facilities also enable in situ, real-time investigations of the internal deformation, phase transition, and ultrafast dynamics of explosives under dynamic loading at high spatial and temporal resolutions. The study of the reaction kinetics and mechanisms of high-energy explosives on microscopic-mesoscopic scales provides an efficient means to unravel the mystery of explosive reactions.

为了准确预测高能炸药的爆轰和安全性能,需要在不同尺度上研究其反应机理,但由于炸药的反应动力学复杂,且目前缺乏实验方法,这给研究带来了挑战。本文介绍了基于大型激光设备的高能炸药的时间分辨泵探实验能力,并介绍了炸药动态过程的最新研究进展,得到以下认识:(1)首先,微米级单晶1,3,5-三氨基-2,4,6-三硝基苯(TATB)在激光设备中可被压缩到超驱动爆轰状态,然后对TATB进行激波Hugoniot测量;(2)其次,高分辨率瞬态x射线成像技术使高能炸药在动载作用下的内部变形、损伤和反应动力学的动态成像成为可能;(3)第三,可以利用动态x射线衍射或散射光谱研究激波压缩炸药的相变和化学反应产物;(4)最后,利用超快激光光谱技术研究炸药在超快抽运作用下的结构变化、分子反应、分子键裂解和中间产物成分。大型激光设备可以提供各种灵活的泵浦探测方法,包括激光冲击加载,瞬态x射线成像,动态x射线衍射和超快光谱,允许进行一系列实验来评估从低压到超驱动爆炸的不同水平的点火。此外,这些设施还可以在高空间和时间分辨率下对动态载荷下爆炸物的内部变形、相变和超快动力学进行现场实时调查。在细观-介观尺度上对高能炸药的反应动力学和机理进行研究,是揭示爆炸反应奥秘的有效手段。
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Energetic Materials Frontiers
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