FirePhysChem最新文献_第7页

Energetic material characterization and ignition study of MEMS based micro-thruster for multi spacecrafts missions 基于微机电系统的多航天器任务微型推进器的能量材料表征和点火研究

FirePhysChem Pub Date : 2023-08-26 DOI: 10.1016/j.fpc.2023.08.001

Harshit Shukla, Gurunadh Velidi

{"title":"Energetic material characterization and ignition study of MEMS based micro-thruster for multi spacecrafts missions","authors":"Harshit Shukla, Gurunadh Velidi","doi":"10.1016/j.fpc.2023.08.001","DOIUrl":"10.1016/j.fpc.2023.08.001","url":null,"abstract":"<div>Over the past few years, there has been a growing recognition of the importance of multi-spacecraft missions for a variety of purposes, including Earth observation, navigation, guidance, climate monitoring, and environmental monitoring. The trend amongst agencies is to favour constellations of smaller satellites, which can aggregate data from various sources, rather than relying on larger satellites. The numerous benefits of multi-spacecraft formation flying missions have led to an increasingly growing interest to explore its propulsion technologies, i.e., micro propulsion. Thoroughly characterising and studying the behaviour of the energetic materials is essential to ensure the safe and effective use of these micro-thrusters. Through the optimisation of micro-thruster design, the current research aims to generate outcomes that can be utilised to enhance the design and optimisation processes. Consequently, this will facilitate the widespread utilisation of micro-thrusters in multi-spacecraft missions. To optimise the performance of pyrotechnic micro-electromechanical systems, an efficient heater design, appropriate base material, channel dimensions, and electrical resistance must be considered based on available power and heat transfer requirements. A unique firing and monitoring test setup has been developed to produce a current-time plot for the device. Additionally, different micro-heater configurations, including spiral, loop, and meander types, were designed for the igniter. Experimental observations indicate that the spiral micro-heater design resulted in the lowest ignition delay and produced highly reliable combustion. The proposed microthruster design demonstrated efficient combustion and yielded promising results when tested with energetic materials such as Zirconium Potassium Perchlorate (ZPP) and Boron Potassium Perchlorate (BPN).</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"4 2","pages":"Pages 122-130"},"PeriodicalIF":0.0,"publicationDate":"2023-08-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667134423000433/pdfft?md5=045c21797033c8fc09f5081f20ef035c&pid=1-s2.0-S2667134423000433-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78723826","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

Boron-loaded gel fuel as potential fuel for ramjet and scramjet engines- recent advancements 作为冲压式喷气发动机和争气式喷气发动机潜在燃料的载硼凝胶燃料--最新进展

FirePhysChem Pub Date : 2023-07-19 DOI: 10.1016/j.fpc.2023.07.003

R. Madhumitha, Srinibas Karmakar

{"title":"Boron-loaded gel fuel as potential fuel for ramjet and scramjet engines- recent advancements","authors":"R. Madhumitha, Srinibas Karmakar","doi":"10.1016/j.fpc.2023.07.003","DOIUrl":"10.1016/j.fpc.2023.07.003","url":null,"abstract":"<div>Boron, a high-energy metalloid has been recognized as a potential secondary energy source for liquid hydrocarbon fuel to power volume-limited propulsion devices such as ramjet and scramjet. The higher volumetric and gravimetric energetic content makes boron a more suitable candidate than other energetic particles. The stability of the particle is one of the significant drawbacks of adopting metal particles in liquid fuel, which gel fuels can overshoot. Though several works have been published on metalized and non-metalized gel fuels, studies focusing on boron-loaded gel fuels are scarce. The present work comprehensively reviews recent advancements and challenges in adopting boron-loaded gel fuel for practical ramjet and scramjet propulsion devices. It mainly encompasses the formulation of boron-loaded gel fuel, rheological behavior and its influencing factors, single droplet combustion characteristic, spray characteristics, spray combustion characteristics, and the effect of boron-loaded gel fuel on the performance of practical ramjet and scramjet combustors.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"4 3","pages":"Pages 185-200"},"PeriodicalIF":0.0,"publicationDate":"2023-07-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667134423000421/pdfft?md5=921fdb848030181584dadf56e897caf4&pid=1-s2.0-S2667134423000421-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"73808206","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

Discovery of high energy and stable prismane derivatives by the high-throughput computation and machine learning combined strategy 通过高通量计算和机器学习相结合的策略发现高能量和稳定的棱镜衍生物

FirePhysChem Pub Date : 2023-07-06 DOI: 10.1016/j.fpc.2023.07.002

Shitai Guo , Jing Huang , Wen Qian , Jian Liu , Weihua Zhu , Chaoyang Zhang

{"title":"Discovery of high energy and stable prismane derivatives by the high-throughput computation and machine learning combined strategy","authors":"Shitai Guo , Jing Huang , Wen Qian , Jian Liu , Weihua Zhu , Chaoyang Zhang","doi":"10.1016/j.fpc.2023.07.002","DOIUrl":"10.1016/j.fpc.2023.07.002","url":null,"abstract":"<div>Motivated by the excellent detonation performance of octanitrocubane, prismane is another potential backbone with high strain energy in energetic molecule design. In this work, we aim to screen out candidates of highly energetic molecules from the space of prismane derivatives. The high-throughput computation (HTC) is performed based on 200 molecules derived from the molecule space of 1503 prismane derivatives with four substituents. Based on the calculated results, the machine learning (ML) models of density, detonation velocity, detonation pressure, heat of formation and detonation heat are established, and thereby the performances of the remaining 1303 samples are predicted. It is found that the –NHNO2 group increases density, while both –NO2 and –C(NO2)3 groups promote detonation performances. Based on the detonation velocity and bond dissociation energy as criteria representing energy and molecular stability, four molecules were screened out with good detonation performance and acceptable thermal stability. This work demonstrates the efficiency of HTC and ML combined strategy for screening high-quality energetic molecules.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"4 1","pages":"Pages 55-62"},"PeriodicalIF":0.0,"publicationDate":"2023-07-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S266713442300041X/pdfft?md5=88af00ca28f12e082c4c187bc44376f8&pid=1-s2.0-S266713442300041X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83900758","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

Numerical simulation of nano-aluminum ignition in oxygen and steam environments 氧气和蒸汽环境中纳米铝点火的数值模拟

FirePhysChem Pub Date : 2023-07-04 DOI: 10.1016/j.fpc.2023.07.001

Yan Zhang , Jianhua Yi , Xiao Xie , Chao Chen , Haijian Li , Wei Li , Yi Xu , Zhihua Sun , Fengqi Zhao

{"title":"Numerical simulation of nano-aluminum ignition in oxygen and steam environments","authors":"Yan Zhang , Jianhua Yi , Xiao Xie , Chao Chen , Haijian Li , Wei Li , Yi Xu , Zhihua Sun , Fengqi Zhao","doi":"10.1016/j.fpc.2023.07.001","DOIUrl":"10.1016/j.fpc.2023.07.001","url":null,"abstract":"<div>The ignition characteristics of nano-aluminum (nano-Al) in oxygen and steam environments were numerically studied in this work. A detailed kinetic mechanism of nano-Al combustion was developed, and the effects of initial reaction temperature, ignition pressure, the phase of reactant, and the ratio of O2 and H2O in the oxidizer on the oxidation performance of aluminum (Al) were analyzed in detail. Numerical results show that increasing the initial temperature promotes the ignition of liquid-phase Al, while the promotion is not significant for gas-phase Al ignition. The oxidation of liquid-phase Al is significantly slower than that of gas-phase Al, and the phase transition reaction of liquid-phase Al exhibits a typical endothermic process, which results in a temperature drop before ignition. The increase of initial reaction pressure can accelerate the consumption of both liquid-phase Al and gas-phase Al in the ignition process. The oxidizability of O2 is much larger than that of H2O, and the oxidation of Al becomes slower by adding H2O in the oxidizer. The rate of production (ROP) was performed to deeply realize the reaction pathways of Al consumption and main products formation. The reaction Al + O2 = AlO + O is the key reaction pathway in the Al-O2 ignition process, while the reaction Al + H2O = AlOH + O plays a more important role in the Al-H2O ignition process. In the all ignition cases, Al2O2 is a key intermediate species since it is the main precursor of gaseous Al2O3, and liquid-phase Al2O3 formed by the phase transition reaction of gaseous Al2O3 is the dominant final product.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"4 2","pages":"Pages 114-121"},"PeriodicalIF":0.0,"publicationDate":"2023-07-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2667134423000408/pdfft?md5=2ef97bb6695897f440d1a73244927b49&pid=1-s2.0-S2667134423000408-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85587418","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

Synthesis process optimization of 4,4′-azobis (1,2,4-triazole) in a continuous stirred tank reactor (CSTR) 在连续搅拌罐反应器（CSTR）中优化 4,4′-偶氮双（1,2,4-三唑）的合成工艺

FirePhysChem Pub Date : 2023-06-28 DOI: 10.1016/j.fpc.2023.06.003

Mimi Zhu, Linan Zhang, Benduan Cheng, Mingmin Zhang, Qiuhan Lin

引用次数: 0

New potential HEDMs with a pyridazine core: Structural modeling and assessment of thermochemical properties 以哒嗪为核心的新型潜在 HEDMs：结构建模和热化学性质评估

FirePhysChem Pub Date : 2023-06-15 DOI: 10.1016/j.fpc.2023.06.002

D.V. Khakimov, T.S. Pivina

引用次数: 0

Synthesis, characterization and properties of halogen-substituted 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene derivatives as energetic materials 含能材料卤素取代1,1-二氨基-2-硝基-2-(1-氨基- 1h -四唑-5-基)乙烯衍生物的合成、表征及性能

FirePhysChem Pub Date : 2023-06-01 DOI: 10.1016/j.fpc.2022.11.004

Zhaoyang Yin , Zhenxin Yi , Yongxing Tang , Hao Wei , Wei Huang

{"title":"Synthesis, characterization and properties of halogen-substituted 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene derivatives as energetic materials","authors":"Zhaoyang Yin , Zhenxin Yi , Yongxing Tang , Hao Wei , Wei Huang","doi":"10.1016/j.fpc.2022.11.004","DOIUrl":"https://doi.org/10.1016/j.fpc.2022.11.004","url":null,"abstract":"<div>Azo-bridged FOX-7 derivatives with ultra-high theoretical detonation performance were seen as potential high-performance energetic materials. So far, most of the researches were focused on the diverse oxidation reactions involving 1,1-diamino-2,2-dinitroethene (FOX-7) as a starting material, which usually results in undesirable products. In this paper, by replacing the starting substrate from FOX-7 to its analogous 1,1-diamino-2-nitro-2-(1-amino-1H-tetrazol-5-yl) ethene (1), three unexpected halogenated-substituted compounds (2-4) were obtained rather than the anticipated azo-bridged products. The crystal structures of 2-4 were fully determined by single-crystal X-ray diffraction. The reaction mechanism and physicochemical properties to them were deeply investigated. 4 shows good detonation performance (Dv = 7554 m/s, P = 24.3 GPa), which are superior to these of TNT (Dv = 6881 m/s, P = 19.5 GPa). The methodology may be helpful for the exploration of azo-bridged FOX-7 compounds in the future.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"3 2","pages":"Pages 135-141"},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49890466","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

In situ coating of energetic crystals: A compact core-shell structure with highly reduced sensitivity 高能晶体的原位涂层:一种高度降低灵敏度的致密核壳结构

FirePhysChem Pub Date : 2023-06-01 DOI: 10.1016/j.fpc.2023.03.003

Binghui Duan , Hongchang Mo , Bojun Tan , Minghui Xu , Xianming Lu , Ning Liu , Bozhou Wang

{"title":"In situ coating of energetic crystals: A compact core-shell structure with highly reduced sensitivity","authors":"Binghui Duan , Hongchang Mo , Bojun Tan , Minghui Xu , Xianming Lu , Ning Liu , Bozhou Wang","doi":"10.1016/j.fpc.2023.03.003","DOIUrl":"https://doi.org/10.1016/j.fpc.2023.03.003","url":null,"abstract":"<div>The weak interfacial interaction and high sensitivity is a longstanding problem for nitramine explosives. Herein, polyhydroxyethyl acrylate nitrate (PANE) was adopted to passivate three nitramine explosives through a facile and efficient in situ polymerization method. The core-shell structure of the PANE-coated composites was confirmed after detailed morphological and structural characterization. As a result, we find that, the hydrophobic PANE shell improved the adhesion work between the explosives and fluoropolymer (F2314) binder because of the enriched interfacial interactions. Besides, 2% PANE can retard the crystal transformation of CL-20 and HMX explosives by 10.7 °C and 4.3 °C, but does not affect the thermal decomposition behavior. The mechanical sensitivity of PANE-coated composites decreased more significantly than raw explosives and the mixed samples. As a typical example, the impact and friction sensitivity of CL-20@PANE composite with 2.0% shell content is practically halved when compared to raw CL-20 with the characteristicheight (H50) of 32.2 cm and the explosionprobability (P) of 50%. This study offers a simple, effective and universal method for design and preparation of energetic composites with high safety performance.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"3 2","pages":"Pages 89-97"},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49890463","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

Purification, crystal structure and properties of azoxytriazolone (AZTO) 氮氧三唑酮(AZTO)的纯化、晶体结构与性质

FirePhysChem Pub Date : 2023-06-01 DOI: 10.1016/j.fpc.2022.12.002

Tianlong Zhou , Jiaxu Gong , Mingzhen Xie , Bozhou Wang , Yifan Jiang , Jiaheng Wang , Jie Zhou , Linzhi Zhong , Yatang Dai

{"title":"Purification, crystal structure and properties of azoxytriazolone (AZTO)","authors":"Tianlong Zhou , Jiaxu Gong , Mingzhen Xie , Bozhou Wang , Yifan Jiang , Jiaheng Wang , Jie Zhou , Linzhi Zhong , Yatang Dai","doi":"10.1016/j.fpc.2022.12.002","DOIUrl":"https://doi.org/10.1016/j.fpc.2022.12.002","url":null,"abstract":"<div>In this work, the azoxytriazolone (AZTO) was synthesized by electrochemical reduction 5-nitro-1,2,4-triazol-3-one (NTO) under different types of electrolytes which were Na2SO4 and H2SO4. By comparing the yield of AZTO/azoTO synthesized under different electrolyte conditions, the work found that sulfuric acid as the electrolyte has a positive effect on the synthesis of AZTO. On this basis, the high-concentration AZTO was prepared by regulating the concentrations of sulfuric acid (0.05M, 0.1M, 0.5M, 1M). Finally, by introducing an appropriate amount of NaOH, we successfully achieved the separation and purification of AZTO from the mixture of AZTO and azoTO. In addition, single crystal AZTO was also prepared in this experiment to test its crystal structure, which illustrated that the crystal density of AZTO is 1.902 g/cm3 at 193 K, belonging to the monoclinic crystal system with space group P21/n. The thermal properties results of AZTO showed that the thermal stability properties of AZTO were affected by AZTO/azoTO ratio, and the thermal decomposition peak of pure AZTO is 352°C when the content of azoTO is zero. On the contrary, the BAM susceptibility tester test demonstrated the impact susceptibility is 30 J and the friction susceptibility is greater than 360 N of AZTO, which are unaffected on azoTO. According to the K-J empirical formula, the blasting velocity and detonation pressure of AZTO were 7713.5 m/s and 26.1 GPa, respectively. The influences of different types of electrolytes and sulfuric acid concentrations on the yield of AZTO were evaluated, and the relevant reaction mechanism of electrochemical synthesis of AZTO and azoTO was supplemented in this paper.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"3 2","pages":"Pages 121-127"},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49890469","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

A combined theoretical and experimental study of photo-induced intramolecular hydrogen transfer of 2,4,6-trinitrotoluene 2,4,6-三硝基甲苯光诱导分子内氢转移的理论与实验相结合研究

FirePhysChem Pub Date : 2023-06-01 DOI: 10.1016/j.fpc.2022.12.001

Ying Xiong , Panwang Zhou , Jianyong Liu , Runze Liu , Chaoyang Zhang

{"title":"A combined theoretical and experimental study of photo-induced intramolecular hydrogen transfer of 2,4,6-trinitrotoluene","authors":"Ying Xiong , Panwang Zhou , Jianyong Liu , Runze Liu , Chaoyang Zhang","doi":"10.1016/j.fpc.2022.12.001","DOIUrl":"https://doi.org/10.1016/j.fpc.2022.12.001","url":null,"abstract":"<div>Photo-induced decay may serve as a way to decompose energetic materials under some special conditions, and understanding the related mechanism is crucial to guide the determination of storage, transport and use conditions. In this work, we confirm the photo-induced intramolecular hydrogen transfer (HT) of 2,4,6-trinitrotoluene (TNT) by matrix-isolation infrared spectroscopy method; meanwhile, no backing of the H transferred isomer to the original TNT molecule is found when annealed and it exhibits an irreversible HT. With time-dependent density functional theory and state-averaged complete-active-space self-consistent-field calculations, we propose a photoisomerization path that occurs in the T1 state. This is because the H transferred isomer can readily back to the ground state (S0 state) by means of intersystem crossing (T1/S0), with a rather high energy barrier required to overcome for the reverse reaction to the original TNT molecule. Thereby, the irreversible HT when annealed is understandable.</div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"3 2","pages":"Pages 128-134"},"PeriodicalIF":0.0,"publicationDate":"2023-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49890468","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