Energetic Materials Frontiers最新文献

{"title":"Thermal decomposition and combustion behavior of potassium perchlorate catalyzed by LaFeO3","authors":"Jing-shuang Tang,&nbsp;Fei-fan Liu,&nbsp;Chen-guang Zhu","doi":"10.1016/j.enmf.2023.03.003","DOIUrl":"10.1016/j.enmf.2023.03.003","url":null,"abstract":"<div><p>To improve the combustion behavior of potassium perchlorate-based pyrotechnics, this study successfully prepared perovskite LaFeO₃ with nitrates as raw materials using the co-precipitation method and characterized perovskite LaFeO₃ through X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy dispersive spectrometry (EDS). Moreover, it investigated the catalytic effect of LaFeO₃ on the thermal decomposition of potassium perchlorate (KP) through the differential scanning calorimetry (DSC) and thermogravimetric analysis (TG) and explored the thermal reaction behavior of pyrotechnics composed of KP and lactose. The results show that the thermal decomposition temperature of KP was 552 ​°C by adding LaFeO₃, reduced by 58 ​°C. The temperature of catalytic decomposition was exactly the extrapolated onset temperature of the endothermic melting peak of KP. The addition of LaFeO₃ caused the premature decomposition of the KP not yet molten, thus generating more heat in its thermal decomposition. Moreover, the addition of LaFeO₃ reduced the thermal reaction peak temperature of pyrotechnics by 7 ​°C and increased the burning rate to more than two times.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 44-48"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47000886","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}

{"title":"Facile synthesis of three low-sensitivity energetic materials based on pyrimidine backbones","authors":"Ying Li ,&nbsp;Si-wei Song ,&nbsp;Si-tong Chen ,&nbsp;Kang-cai Wang ,&nbsp;Qing-hua Zhang","doi":"10.1016/j.enmf.2023.03.005","DOIUrl":"10.1016/j.enmf.2023.03.005","url":null,"abstract":"<div><p>Using commercially available raw materials, novel pyrimidine-based energetic compounds were synthesized, namely <em>N</em>-(7-oxo-6,7-dihydro-[1,2,5]oxadiazolo[3,4-<em>d</em>]pyrimidin-5-yl)nitramide (<strong>1</strong>), 2,4,6-triamino-5-nitropyrimidin-1-ium nitrate (<strong>2</strong>), and 4,6-diamino-5-nitro-2-oxo-2,3-dihydropyrimidin-1-ium nitrate (<strong>3</strong>). They were fully characterized using NMR (¹H and ¹³C), IR spectroscopy, and elemental analysis. The crystal structures of compounds <strong>1</strong> and <strong>3</strong> were determined using single-crystal X-ray diffraction. The decomposition temperatures of compounds <strong>1</strong>–<strong>3</strong> were measured to be 190.2 ​°C, 156.8 ​°C, and 234.6 ​°C, respectively. Their densities were tested to be 1.84, 1.85 ​g ​cm⁻³, and 1.81 ​g ​cm⁻³, respectively. They exhibited desirable insensitive properties, with impact sensitivity ≥15 ​J and friction sensitivity &gt;360 ​N. In addition, the detonation performances of compounds <strong>1</strong>–<strong>3</strong> were calculated with detonation pressure of 26.9, 29.6 ​GPa, and 26.0 ​GPa, respectively; detonation velocity of 8089, 8644 ​m ​s⁻¹, and 7996 ​m ​s⁻¹, respectively). Simple synthetic processes and high performance make them potential candidates for low-sensitivity energetic materials.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 16-23"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45341651","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}

{"title":"Tricyclic compounds with 1,4,2,5-dioxadiazine bridged triazoles and pyrazoles as potential energetic materials","authors":"Cong-cong Ge,&nbsp;Ting-ou Yan,&nbsp;Guang-bin Cheng,&nbsp;Hong-wei Yang","doi":"10.1016/j.enmf.2022.11.005","DOIUrl":"10.1016/j.enmf.2022.11.005","url":null,"abstract":"<div><p>In this study, two energetic molecules with 1,4,2,5-dioxadiazine as a bridge were created by adding triazoles and pyrazoles to the oxazine skeleton. The structural characteristics, thermal behavior, and explosive properties of the obtained compounds 3,6-bis(1-nitro-1<em>H</em>-1,2,4-triazol-3-yl)-1,4,2,5-dioxadiazine (<strong>4a</strong>) and 3,6-bis(1-nitro-1<em>H</em>-pyrazol-3-yl)-1,4,2,5-dioxadiazine (<strong>4b</strong>) were investigated using experimental and theoretical techniques. To further elucidate the structure-property relationship, this study conducted calculations and analyses of quantum chemistry, such as the Hirshfeld surface analysis, the electrostatic potential (ESP) surface analysis, and the localized orbital locator (LOL) calculation. Compounds <strong>4a</strong> and <strong>4b</strong> have higher detonation velocities (<strong>4a</strong>: <em>D</em>_v ​= ​8328 ​m ​s⁻¹; <strong>4b</strong>: <em>D</em>_<em>v</em> ​= ​7681 ​m ​s⁻¹) than the conventional explosive 2,4,6-trinitrotoluene (<strong>TNT</strong>; <em>D</em>_<em>v</em> ​= ​6881 ​m ​s⁻¹) according to an energetic evaluation. Moreover, the thermal properties and sensitivities of <strong>4a</strong> (<em>T</em>_d ​= ​155 ​°C, <em>IS</em> ​= ​15 ​J, <em>FS</em> ​= ​288 ​N) and <strong>4b</strong> (<em>T</em>_d ​= ​192 ​°C, <em>IS</em> ​= ​20 ​J, <em>FS</em> ​= ​216 ​N) were greatly improved compared with the previously reported energetic furazan-1,4,2,5-dioxadiazine derivatives <em>N,N</em>'-((1,4,2,5-dioxadiazine-3,6-diyl)bis(1,2,5-oxadiazole-4,3-diyl))dinitramide (<strong>i</strong>; <em>T</em>_d ​= ​106 ​°C, <em>IS</em> ​= ​4.5 ​J, <em>FS</em> ​= ​100 ​N) and 3,6-bis(4-nitro-1,2,5-oxadiazol-3-yl)-1,4,2,5-dioxadiazine (<strong>ii</strong>; <em>T</em>_d ​= ​148 ​°C, <em>IS</em> ​= ​2.2 ​J, <em>FS</em> ​= ​116 ​N). The excellent sensitivities and acceptable detonation velocities of compounds <strong>4a</strong> and <strong>4b</strong> make them good candidates for potential mechanically low-sensitive explosives. These findings will enrich the further application of nitrogen heterocycle 1,4,2,5-dioxadiazine in the field of energetic materials.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 10-15"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48481776","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}

{"title":"Cover Story","authors":"","doi":"10.1016/S2666-6472(23)00012-X","DOIUrl":"https://doi.org/10.1016/S2666-6472(23)00012-X","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Page ii"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50203404","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}

{"title":"Novel energetic furazans containing isomeric N-(azoxy)-dinitropyrazole moieties: Synthesis, characterization and comparison of properties","authors":"Alexey A. Konnov ,&nbsp;Michael S. Klenov ,&nbsp;Aleksandr M. Churakov ,&nbsp;Igor L. Dalinger ,&nbsp;Yurii A. Strelenko ,&nbsp;Ivan V. Fedyanin ,&nbsp;David B. Lempert ,&nbsp;Alla N. Pivkina ,&nbsp;Tatiana S. Kon'kova ,&nbsp;Yurii N. Matyushin ,&nbsp;Vladimir A. Tartakovsky","doi":"10.1016/j.enmf.2022.10.001","DOIUrl":"10.1016/j.enmf.2022.10.001","url":null,"abstract":"<div><p>Novel energetic furazans <strong>3a–3c</strong> and <strong>4a–4c</strong> containing isomeric (3,4-dinitro-1<em>H</em>-pyrazol-1-yl)-<em>NNO</em>-azoxy and (3,5-dinitro-1<em>H</em>-pyrazol-1-yl)-<em>NNO</em>-azoxy moieties have been obtained. A synthetic approach to aminofurazans <strong>3a</strong> and <strong>4a</strong> involves the reaction of 1-amino-3,4-dinitro-1<em>H</em>-pyrazole or 1-amino-3,5-dinitro-1<em>H</em>-pyrazole with 2,2,2-trifluoro-<em>N</em>-(4-nitrosofurazan-3-yl)acetamide and dibromoisocyanuric acid, followed by removal of the trifluoroacetyl group. Transformations of the amino group in aminofurazans <strong>3a</strong> and <strong>4a</strong> gave the corresponding nitro (<strong>3b</strong>, <strong>4b</strong>) and azo (<strong>3c</strong>, <strong>4c</strong>) substituted furazans. The compounds synthesized exhibit high experimental enthalpies of formation (2093–2847 kJ·kg⁻¹), good thermal stabilities (onset decomposition temperatures 203–228 °C), acceptable densities (1.78–1.87 g·cm⁻³) and high detonation parameters (detonation velocities <em>D</em> = 8.71–8.99 km s⁻¹, detonation pressures <em>p</em> = 33.9–38.7 GPa). Nitro substituted furazans <strong>3b</strong>, <strong>4b</strong> and azo substituted furazans <strong>3c</strong>, <strong>4c</strong> have been evaluated as effective energetic fillers for solid composite propellants, providing specific impulse values 9–11 s higher than similar formulations based on RDX and HMX, and 4–6 s higher than similar formulations based on CL-20.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 1-9"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45055758","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}

{"title":"Obtaining advanced insensitive energetic materials by regioselectively introducing N-oxide groups onto 6-trifluoromethyl-1,2,4,5-tetrazine-3-amine","authors":"Qiang-qiang Liu ,&nbsp;Han Wang ,&nbsp;Yun-jie Kang ,&nbsp;Ying-le Liu ,&nbsp;Pei-dong Yu ,&nbsp;Ming-yu Yuan ,&nbsp;Hai-xiang Gao","doi":"10.1016/j.enmf.2022.12.004","DOIUrl":"10.1016/j.enmf.2022.12.004","url":null,"abstract":"<div><p>Three <em>N</em>-oxide energetic compounds were selectively obtained from 6-trifluoromethyl-1,2,4,5-tetrazin-3-amine using four kinds of oxidation systems. Their structures were verified through ¹H NMR, ¹³C NMR, IR, single-crystal X-ray diffraction, and elemental analysis, and their thermal properties were studied through differential scanning calorimetry (DSC) and thermogravimetric analysis (TGA). Moreover, their heats of formation and detonation properties were obtained using the Gaussian 09 and EXPLO5 v6.01 programs, respectively. Among them, compound <strong>5</strong> had excellent mechanical sensitivities (<em>IS</em> ​&gt; ​60 ​J, <em>FS</em> ​&gt; ​360 ​N) and high detonation performance (<em>v</em>_<em>D</em> ​= ​7351 ​m ​s⁻¹, <em>p</em> ​= ​23.9 ​GPa), which were comparable to those of TNT. Compound <strong>7</strong> was more sensitive (<em>IS</em> ​= ​27 ​J, <em>FS</em> ​&gt; ​360 ​N) than compound <strong>5,</strong> which was the isomer of compound <strong>7</strong>. The mechanism for regioselectively introducing <em>N</em>-oxide was deeply investigated through the natural bond orbital (NBO) charge analysis. Furthermore, the relationships between the sites of <em>N</em>-oxides and the sensitivities were investigated using Hirschfeld surfaces, electrostatic potential, and 2D fingerprint plots, This study can be used as a reference for the development of the next generation of <em>N</em>-oxide-containing explosives.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 30-36"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42788016","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}

{"title":"High-efficiency catalysis of nitrogen-rich metal-organic frameworks and their derivatives for the thermal decomposition of ammonium perchlorate","authors":"Wen-chuan Cheng ,&nbsp;Jia-min Chen ,&nbsp;Liu Deng ,&nbsp;Hui-sheng Huang ,&nbsp;Jian-guo Zhang ,&nbsp;Tong-lai Zhang ,&nbsp;Zhi-min Li","doi":"10.1016/j.enmf.2023.03.001","DOIUrl":"10.1016/j.enmf.2023.03.001","url":null,"abstract":"<div><p>With the development of aerospace science and technology, requirements for propellants are increasingly high. The thermal decomposition behavior of ammonium perchlorate (AP) directly influences the combustion performance of composite solid propellants. Catalysts play an important role in improving the thermal decomposition behavior of AP. In this study, three novel metal-organic frameworks (MOFs) were prepared using a straightforward method, namely Co[N(CN)₂]₂ (<strong>1</strong>; nitrogen content: 43.5%), Cu[N(CN)₂]₂ (<strong>2</strong>; nitrogen content: 43.0%), and Pb[N(CN)₂]₂ (<strong>3</strong>; nitrogen content: 24.8%). Their crystal structures were characterized and analyzed through single-crystal X-ray diffraction, forming interesting three-dimensional architectures. Moreover, derived composite catalysts under air (<strong>4</strong>, <strong>6,</strong> and <strong>8</strong>) or nitrogen (<strong>5</strong>, <strong>7,</strong> and <strong>9</strong>) atmosphere were generated by heating MOFs <strong>1</strong>, <strong>2,</strong> and <strong>3</strong>–500 ​°C at a heating rate of 5 ​°C·min⁻¹. The derived catalyst <strong>4</strong> exhibited the best performance. It reduced the decomposition peak temperature of AP by 81.9 ​°C, increased the heat release from 785 ​kJ·g⁻¹ to 1232 ​kJ·g⁻¹, and decreased the apparent activation energy <strong>(<em>E</em></strong>_a) of AP from 223 ​kJ·mol⁻¹ to 145 ​kJ·mol⁻¹.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 37-43"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46045739","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}

{"title":"Effects of residual dimethyl sulfoxide on the storage performance of nano-TATB","authors":"Nan-nan Lin ,&nbsp;Chun Xu ,&nbsp;He-liang Sui ,&nbsp;Feng Wang ,&nbsp;Zheng Gong ,&nbsp;Jie Sun ,&nbsp;Xin Ju","doi":"10.1016/j.enmf.2023.03.004","DOIUrl":"10.1016/j.enmf.2023.03.004","url":null,"abstract":"<div><p>The stability of nano-TATB in an environment of long-term storage or service is currently one concern since it will affect the reliability of weapon systems. To explore the effects of the residual dimethyl sulfoxide (DMSO) solvent generated during synthesis on the storage performance of nano-TATB, this study proposed a new strategy that utilized solvent atmosphere induction to simulate the effects of residual solvents for the first time and quantified the residual solvents using the equilibrium adsorption capacity (<em>Q</em>_e) obtained from the pseudo-first-order adsorption kinetic model. Moreover, this study investigated the storage performance of nano-TATB in the DMSO atmosphere using techniques of scanning electron microscopy (SEM), X-ray diffraction (XRD), Raman spectroscopy (Raman), and infrared (IR) spectroscopy. The results show that the residual DMSO can induce nano-TATB growth more significantly than stimuli in a hot and humid environment. After aging at 60 ​°C for 1 ​d in the DMSO atmosphere, a large number of particles with relatively a regular shape and a particle size of about 1 ​μm were generated in the DMSO atmosphere, with a <em>Q</em>_e of DMSO of (1.045 ​± ​0.026) mg·g⁻¹. After aging for 5 ​d, some nano-TATB particles grew and had a particle size of up to 5–6 ​μm, and the average density and cohesive strength of nano-TATB greatly increased. As shown by the analysis of the growth mechanism of nano-TATB in the DMSO atmosphere based on the above experimental results, the main reason for the self-assembly of nano-TATB is the surface DMSO induction caused by the interactions between nano-TATB and DMSO molecules. These results show that the key to improving the storage stability of nano-TATB is to reduce the content of residual solvents.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 49-55"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"41388511","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}

{"title":"Constructing a framework with 1,3,4-oxadiazole and pyrazole for new high energy insensitive salts","authors":"Teng Zhu,&nbsp;Jie Tang,&nbsp;Hong-wei Yang,&nbsp;Guang-bin Cheng","doi":"10.1016/j.enmf.2022.10.002","DOIUrl":"10.1016/j.enmf.2022.10.002","url":null,"abstract":"<div><p>A novel neutral tricyclic energetic compound 5,5’ -(4-nitro-1H-pyrazole-3,5-diyl) bis (1,3,4-oxadiazol -2-amine) and a series of corresponding energetic ionic salts <strong>7</strong>–<strong>9</strong> were synthesized. Differential scanning calorimetry (DSC), nuclear magnetic resonance (NMR), elemental analysis, and infrared spectroscopy (IR) were used to analyze the newly synthesized compounds. Single-crystal X-ray diffraction was also used to validate the precise structure of ammonium salt <strong>7</strong>. These energetic salts exhibit positive heat of formation (401.17 ​kJ·mol⁻¹ to 690.66 ​kJ·mol⁻¹), moderate detonation performance (8517 ​m·s⁻¹ to 8803 ​m·s⁻¹) and low mechanical sensitivity (<em>IS</em> ​&gt; ​40 ​J; <em>FS</em> ​&gt; ​360 ​N). It is worth noting that, in comparison to previously reported energetic salts containing nitramino 1,3,4-oxadiazole with poor thermal stability, the beginning decomposition temperatures of hydroxylamine salt <strong>9</strong> is greater than 180 ​°C. The newly synthesized hydroxylamine salt <strong>9</strong> has promise to be used as new high energy insensitive material based on the aforementioned characteristics.</p></div>","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages 24-29"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"44621455","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}

{"title":"Graphical Abstract","authors":"","doi":"10.1016/S2666-6472(23)00013-1","DOIUrl":"https://doi.org/10.1016/S2666-6472(23)00013-1","url":null,"abstract":"","PeriodicalId":34595,"journal":{"name":"Energetic Materials Frontiers","volume":"4 1","pages":"Pages iii-v"},"PeriodicalIF":0.0,"publicationDate":"2023-03-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"50203405","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}