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Graphical Abstract 图表摘要
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/S2666-6472(24)00045-9
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引用次数: 0
Low-temperature rheological properties and viscosity equation of Al/HTPB suspension system Al/HTPB 悬浮体系的低温流变特性和粘度方程
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.04.001
Ke Wang , Min Xia , Qi-fa Yao , Yi-xuan Xie , Lin Zhong , Yu-zhan Li , Wei Yang , Yun-jun Luo

The rheological behavior of propellant slurries is crucial for ensuring the feasibility of the 3D printing process, controlling print quality, regulating performance, and simulating predictions. However, there have been relatively few prior studies on the rheological properties of composite solid propellant slurries at low temperatures, which hinders the application of 3D printing propellant technology under extreme temperature conditions. In addition, the use of 3D printing technology to manufacture propellants at low temperatures is advantageous for improving safety. This paper investigates the rheological properties of monodisperse systems with aluminum powder as a solid filler and end-hydroxy polybutadiene (HTPB) as the dispersed phase at low temperatures (−15∼10 °C). It explores the effects of solid content, temperature, and particle size on their rheological properties. Results show that the viscosity of the system in the range of −15∼10 °C increases exponentially with the decrease in temperature, and the viscosity at −15 °C increases by 616.90 % compared with that at 10 °C when the volume fraction (φ) of Al-1 is 35.8 %; the larger size of the particles the larger the viscosity is when the temperature and φ are the same, which is interpretes in terms of interfacial properties between the systems. The low-temperature correction factor is introduced into the Einstein-Roscoe equation to obtain the modified viscosity-volume fraction equation, and the correction factor is 0.0173, as evidenced by its excellent agreement with the experimental data.

推进剂浆料的流变行为对于确保三维打印工艺的可行性、控制打印质量、调节性能和模拟预测至关重要。然而,此前有关低温条件下复合固体推进剂浆料流变特性的研究相对较少,这阻碍了 3D 打印推进剂技术在极端温度条件下的应用。此外,利用 3D 打印技术在低温条件下制造推进剂有利于提高安全性。本文研究了以铝粉为固体填料、以端羟基聚丁二烯(HTPB)为分散相的单分散体系在低温(-15∼10 °C)条件下的流变特性。研究探讨了固体含量、温度和粒度对其流变特性的影响。结果表明,在-15∼10 °C范围内,体系的粘度随温度的降低呈指数增加,当 Al-1 的体积分数(φ)为 35.8 % 时,-15 °C 时的粘度比 10 °C 时增加了 616.90 %;当温度和φ相同时,颗粒尺寸越大,粘度越大,这可以从体系间的界面特性来解释。将低温校正因子引入爱因斯坦-罗斯科方程,得到修正的粘度-体积分数方程,校正因子为 0.0173,与实验数据非常吻合。
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引用次数: 0
Cover Story 封面故事
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/S2666-6472(24)00044-7
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引用次数: 0
Technologies for room-temperature self-healing polymer materials and their applications in energetic materials 室温自愈合聚合物材料技术及其在高能材料中的应用
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.06.001
Xing-ling Hu , Min Xia , Ming-hao Zhang , Wei Yang , Fan-zhi Yang , Yun-jun Luo

Energetic materials are the energy materials used by weaponry to accomplish launch, propulsion, and destruction. However, during manufacture, storage and use, they may be damaged and form microcracks when subjected to external stimuli such as temperature, humidity and impact, which ultimately lead to changes in material properties. Self-healing materials can repair the damage through physical or chemical processes, restoring their properties and extending their service life. This paper reviews the classification of self-healing polymer materials, principles underlying technologies for room-temperature self-healing polymer materials, and the applications of these technologies in energetic materials. Furthermore, this study proposes several key directions for future research on the technologies and their applications in energetic materials.

高能材料是武器用于发射、推进和摧毁的能量材料。然而,在制造、储存和使用过程中,它们在受到温度、湿度和冲击等外部刺激时可能会受损并形成微裂缝,最终导致材料性能发生变化。自修复材料可通过物理或化学过程修复损伤,恢复材料性能并延长其使用寿命。本文综述了自修复聚合物材料的分类、室温自修复聚合物材料技术的基本原理以及这些技术在高能材料中的应用。此外,本研究还就这些技术及其在高能材料中的应用提出了未来研究的几个主要方向。
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引用次数: 0
Deprotonation-assisted electrochemical synthesis of copper nitrotriazole with excellent ignition performance 去质子化辅助电化学合成具有优异点火性能的硝基三唑铜
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2023.12.003
Jun-hong Chen, Chun-pei Yu, Jian-yong Xu, Chang-kun Song, Wei Shi, Xiao-ting Lei, Bo-nan Gu, Ming-hao Bao, Wen-chao Zhang

Electrochemical synthesis serves as a green and efficient method with great application potential. However, it has not been extensively applied in the synthesis of energetic materials. Nitrogen-rich heterocyclic compounds, as a new generation of energetic materials, enjoy advantages such as eco-friendliness, high energy output, and excellent safety performance. This study reports the electrochemical cathodic synthesis of copper nitrotriazole [Cu(NTz)2] using copper chloride and 3-nitro-1,2,4-triazole as a reaction substrate and triethylamine as a deprotonation agent. The obtained Cu(NTz)2 comprises uniform spherical particles of nano lamellae. As the dosage of triethylamine increased from 50 μL to 150 μL, Cu(NTz)2 gradually grew into compact solid spherical particles, significantly increasing the energy output. Notably, the heat release increased from 711 J g−1 to 1301 J g−1, accompanied by a significant positive elevation of ignition performance and peak combustion pressure in the process of confined combustion. This greatly boosted the energetic performance of Cu(NTz)2. Moreover, Cu(NTz)2 demonstrates insensitivity to electrostatic discharge (E50>225 mJ) and friction (FS>360 N), suggesting excellent safety performance. Owing to its outstanding energetic and safety performance, Cu(NTz)2 boasts great potential for application as pyrotechnic compositions, including military gas-producing and incendiary agents. Moreover, it has been corroborated that Cu(NTz)2 can be applied as a micro ignitor.

电化学合成是一种绿色高效的方法,具有很大的应用潜力。但在含能材料的合成中尚未得到广泛应用。富氮杂环化合物作为新一代高能材料,具有生态友好、能量输出大、安全性能优异等优点。本研究报道了以氯化铜和3-硝基-1,2,4-三唑为反应底物,三乙胺为脱质子剂,电化学阴极合成硝基三唑铜[Cu(NTz)2]。得到的Cu(NTz)2由均匀的球形纳米片状颗粒组成。随着三乙胺用量从50 μL增加到150 μL, Cu(NTz)2逐渐成长为致密的固体球形颗粒,能量输出显著增加。值得注意的是,在密闭燃烧过程中,放热量从711 J g−1增加到1301 J g−1,并伴随着点火性能和峰值燃烧压力的显著正提升。这极大地提高了Cu(NTz)2的能量性能。此外,Cu(NTz)2对静电放电(E50>225 mJ)和摩擦(FS>360 N)不敏感,具有良好的安全性能。由于Cu(NTz)2具有优异的能量和安全性能,因此具有很大的应用潜力,可以作为烟火合成物,包括军用产气剂和燃烧剂。此外,还证实了Cu(NTz)2可以用作微点火器。
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引用次数: 0
Structural evolvement of 1-methyl-3,4,5-trinitropyrazole at high pressure 高压下 1-甲基-3,4,5-三硝基吡唑的结构演变
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.03.003
Guang-yu Qi , Ye Cao , Tian-yu Jiang , Hong Zhang , Yi Wang

Explosives, a type of energetic material (EM), face a high-pressure environment in the detonation process or under shock conditions. Determining their high-pressure behavior is critical to their explosion and safety. 1-Methyl-3,4,5-trinitropyrazole (MTNP), a carrier of melt-cast explosives, exhibits the potential for replacing trinitrotoluene (TNT). However, there is limited knowledge about its structural evolvement at high pressure. Using a diamond anvil cell (DAC), this study investigated the structural variation of MTNP through in situ high-pressure synchrotron angle-dispersive X-ray diffraction (ADXRD) experiments and Raman measurements. As evidenced by the results, MTNP underwent phase transition at 8.7 GPa and amorphization at 15.3 GPa due to high pressure. Through the analysis of first-principles calculations and Raman spectra, this study proposed the mechanisms behind the changes in MTNP at high pressure. Furthermore, this study systematically explored the structural evolvement of MTNP and the evolution of its weak intermolecular interactions at high pressure, gaining further understanding of MTNP's detonation and safety.

爆炸物是一种高能材料(EM),在爆炸过程中或冲击条件下会面临高压环境。确定其高压行为对其爆炸和安全至关重要。1-甲基-3,4,5-三硝基吡唑(MTNP)是熔铸炸药的载体,具有替代三硝基甲苯(TNT)的潜力。然而,人们对其在高压下的结构演变了解有限。本研究利用金刚石砧室(DAC),通过高压同步辐射角散 X 射线衍射(ADXRD)实验和拉曼测量,研究了 MTNP 的结构变化。结果表明,由于高压的作用,MTNP 在 8.7 GPa 时发生了相变,在 15.3 GPa 时发生了非晶化。通过对第一原理计算和拉曼光谱的分析,本研究提出了 MTNP 在高压下发生变化的机理。此外,本研究还系统地探讨了 MTNP 在高压下的结构演变及其分子间弱相互作用的演变,进一步了解了 MTNP 的起爆和安全性。
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引用次数: 0
A new crystal form of Hx2TNBI·2H2O through solvent-induced crystallization 通过溶剂诱导结晶获得 Hx2TNBI-2H2O 的新晶体形态
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.03.004
Bi-bo Li , Xiao-long Li , Yang Liu , Peng-cheng Zhang , Mei-qi Wang , Shang-biao Feng , Shu-hai Zhang

Polymorphism is universal in energetic materials (EMs), which is originated from the differences of molecular conformers and stacking mode. The polymorphic transition may lead to the change of crystal structure and properties of EMs. In this work, β-Hx2TNBI·2H2O (β-1) was successfully synthesized through solvent-induced conformational transition of Hx2TNBI·2H2O. From the perspective of quantum chemistry and molecular dynamics, the crystal stacking changes caused by different molecular conformations are discussed in detail, which leads to the properties difference of EMs. The results show that β-1 featured wave-like crystal stacking, making it less sensitive to external mechanical stimuli than α-Hx2TNBI·2H2O (α-1) (α-1: IS > 6 J, FS > 288 N; β-1: IS > 20 J, FS > 360 N). α-1 featured better the aromaticity, which gives it higher thermal stability than β-1 (α-1: Td = 186 °C; β-1: Td = 146 °C). Simultaneously, compared with β-1, α-1 has higher crystal density and detonation performance. This work provides a new and effective way to change the safety of EMs.

多态性是高能材料(EMs)中的普遍现象,它源于分子构象和堆积模式的差异。多态转变可导致高能材料晶体结构和性质的改变。本研究通过溶剂诱导 HxTNBI-2HO 的构象转变,成功合成了-HxTNBI-2HO()。从量子化学和分子动力学的角度,详细讨论了不同分子构象引起的晶体堆积变化,从而导致电磁波的性质差异。结果表明,-HxTNBI-2HO()具有波状晶体堆积特征,使其对外部机械刺激的敏感性低于-HxTNBI-2HO()(: > 6 J, > 288 N; : > 20 J, > 360 N);其芳香性更好,使其热稳定性高于-HxTNBI-2HO()(: = 186 °C; : = 146 °C)。同时,与 (: = 186 ℃;: = 146 ℃)相比,(: = 186 ℃;: = 146 ℃)具有更高的晶体密度和引爆性能。这项工作为改变电磁安全提供了一种新的有效方法。
{"title":"A new crystal form of Hx2TNBI·2H2O through solvent-induced crystallization","authors":"Bi-bo Li ,&nbsp;Xiao-long Li ,&nbsp;Yang Liu ,&nbsp;Peng-cheng Zhang ,&nbsp;Mei-qi Wang ,&nbsp;Shang-biao Feng ,&nbsp;Shu-hai Zhang","doi":"10.1016/j.enmf.2024.03.004","DOIUrl":"10.1016/j.enmf.2024.03.004","url":null,"abstract":"<div><p>Polymorphism is universal in energetic materials (EMs), which is originated from the differences of molecular conformers and stacking mode. The polymorphic transition may lead to the change of crystal structure and properties of EMs. In this work, <em>β</em>-Hx<sub>2</sub>TNBI·2H<sub>2</sub>O (<strong><em>β</em>-1</strong>) was successfully synthesized through solvent-induced conformational transition of Hx<sub>2</sub>TNBI·2H<sub>2</sub>O. From the perspective of quantum chemistry and molecular dynamics, the crystal stacking changes caused by different molecular conformations are discussed in detail, which leads to the properties difference of EMs. The results show that <strong><em>β</em>-1</strong> featured wave-like crystal stacking, making it less sensitive to external mechanical stimuli than <em>α</em>-Hx<sub>2</sub>TNBI·2H<sub>2</sub>O (<strong><em>α</em>-1</strong>) (<strong><em>α</em>-1</strong>: <em>IS</em> &gt; 6 J, <em>FS</em> &gt; 288 N; <strong><em>β</em>-1</strong>: <em>IS</em> &gt; 20 J, <em>FS</em> &gt; 360 N). <strong><em>α</em>-1</strong> featured better the aromaticity, which gives it higher thermal stability than <strong><em>β</em>-1</strong> (<strong><em>α</em>-1</strong>: <em>T</em><sub>d</sub> = 186 °C; <strong><em>β</em>-1</strong>: <em>T</em><sub>d</sub> = 146 °C). Simultaneously, compared with <strong><em>β</em>-1</strong>, <strong><em>α</em>-1</strong> has higher crystal density and detonation performance. This work provides a new and effective way to change the safety of EMs.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":null,"pages":null},"PeriodicalIF":3.3,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2666647224000265/pdfft?md5=e9d0cf0f55927f978afc087416181c7b&pid=1-s2.0-S2666647224000265-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140590946","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Advancements in methodologies and techniques for the synthesis of energetic materials: A review 高能材料合成方法和技术的进展:综述
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.06.002
Wei Du , Lei Yang , Jing Feng , Wei-hua Zhu , Jin-shan Li , Peng-cheng Zhang , Qing Ma

Recent years have witnessed significant advancements in methodologies and techniques for the synthesis of energetic materials, which are expected to shape future manufacturing and applications. Techniques including continuous flow chemistry, electrochemical synthesis, microwave-assisted synthesis, and biosynthesis have been extensively employed in the pharmaceutical and fine chemical industries and, gratifyingly, have found broader applications. This review comprehensively introduces recent advancements in the utilization of these emerging techniques, aiming to provide a catalyst for the development of novel green methods and techniques for synthesizing energetic materials.

近年来,合成高能材料的方法和技术取得了长足进步,预计这些技术将影响未来的生产和应用。连续流化学、电化学合成、微波辅助合成和生物合成等技术已在制药和精细化工行业得到广泛应用,令人欣慰的是,这些技术的应用范围也越来越广。本综述全面介绍了利用这些新兴技术的最新进展,旨在为开发合成高能材料的新型绿色方法和技术提供催化剂。
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引用次数: 0
Research progress and prospect of explosive crystallization (2022-present) 爆炸结晶的研究进展和前景(2022 年至今)
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.05.003
Yu-jie Song, Ying Wang, Rong Xu, Qi Zhang

To meet the requirements of explosives in military and civilian fields, researchers are committed to improving the comprehensive performance of explosives. The performance of explosive crystals can be significantly improved by regulating the structure and morphology of single-compound explosive crystals as well as compounding explosive crystals. According to the related research on explosive crystals at home and abroad from 2022 to now, the development of explosive crystal composites and single-compound explosives' crystal morphology, particle size, and crystal form regulation study were reviewed. The explosive crystal composites encompass both the complex consisting of a single-compound explosive and the complex consisting of two separate types of explosives. Simultaneously, the main problems encountered in the development of explosive crystals were also analyzed, such as the deficiency of systematic and broadly applicable regulation methods and theories. Finally, the future development direction of explosive crystal research was envisioned, with the aim of providing guidance for the production, handling, and application of explosives.

为了满足军事和民用领域对炸药的要求,研究人员致力于提高炸药的综合性能。通过调节单复合物炸药晶体以及复合物炸药晶体的结构和形态,可以显著提高炸药晶体的性能。根据 2022 年至今国内外对爆炸晶体的相关研究,综述了爆炸晶体复合材料的发展和单复方炸药晶体形态、粒度、晶形调控研究。爆炸晶体复合材料既包括由单一化合物炸药组成的复合材料,也包括由两种不同类型炸药组成的复合材料。同时,还分析了爆炸晶体发展过程中遇到的主要问题,如缺乏系统的、广泛适用的调控方法和理论。最后,展望了爆炸晶体研究的未来发展方向,以期为炸药的生产、处理和应用提供指导。
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引用次数: 0
Bio-inspired design of PTFE/B energetic materials with high reactivity and flexibility 受生物启发设计出具有高反应活性和柔韧性的聚四氟乙烯/乙烯高能材料
IF 3.3 Q2 CHEMISTRY, MULTIDISCIPLINARY Pub Date : 2024-06-01 DOI: 10.1016/j.enmf.2024.03.006
Jun Wang , Hua-Mo Yin , Yao-feng Mao , Ling-feng Yang , Xiaowei Chen

Although new-type energetic materials have been investigated extensively, there is a challenge on how to integrate energy density and mechanical properties of energetic materials simultaneously. Herein, a versatile approach was proposed to design energetic materials with high energy density, reactivity, and flexibility based on a bio-inspired strategy. By mimicking the “brick-and-mortar” structure within a natural nacre, the energetic film with alternative layers of polytetrafluoroethylene (PTFE) and boron (B) was successfully fabricated. The nacre-mimetic PTFE/B energetic film exhibited excellent reaction heat (4413.9 J⋅g−1) and bright combustion flame, which may originate from the exothermic reaction mechanism between fluorine (F) and B. Even more remarkably, such PTFE/B energetic film revealed prominent mechanical flexibility reported for the first time. These findings indicate that the nacre-mimetic strategy provides an effective route to engineer energetic materials with high energy density, reactivity, and flexibility.

尽管新型高能材料已得到广泛研究,但如何同时整合高能材料的能量密度和机械性能仍是一个挑战。本文提出了一种基于生物启发策略的多功能方法,用于设计具有高能量密度、反应性和柔韧性的高能材料。通过模仿天然珍珠质的 "砖墙 "结构,成功制备出了由聚四氟乙烯(PTFE)和硼(B)组成的高能薄膜。这种仿珍珠质的聚四氟乙烯/硼高能薄膜表现出优异的反应热(4413.9 焦耳-克-1)和明亮的燃烧火焰,这可能源于氟(F)和硼(B)之间的放热反应机制。这些研究结果表明,珍珠质模拟策略为设计具有高能量密度、反应活性和柔韧性的高能材料提供了一条有效途径。
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引用次数: 0
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Energetic Materials Frontiers
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