FirePhysChem最新文献

Understanding of the bond dissociation energy of C-NO2 in five- and six-membered N-heteroaromatic derivatives 五元和六元n -杂芳香衍生物中C-NO2键解离能的研究

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.10.001

Yaoyao Linghu , Chaoyang Zhang

引用次数: 0

Trinitroethyl nitropyrazole-3-carboxylates Trinitroethyl nitropyrazole-3-carboxylates

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.10.003

Dariya V. Maksimova , Igor.L. Dalinger , Irina A. Vatsadze , Kyrill Yu. Suponitsky , Alla N. Pivkina , Junlin Zhang , Aleksei B. Sheremetev

引用次数: 0

Influence of ammonium nitrate incorporation on the thermal decomposition kinetics of nitrostarch-based energetic composite 硝酸铵掺入对硝化淀粉基含能复合材料热分解动力学的影响

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.11.001

Nassima Sahnoun , Amir Abdelaziz , Djalal Trache , Ahmed Fouzi Tarchoun , Hani Boukeciat , Amel Meslem , Weiqiang Pang

{"title":"Influence of ammonium nitrate incorporation on the thermal decomposition kinetics of nitrostarch-based energetic composite","authors":"Nassima Sahnoun , Amir Abdelaziz , Djalal Trache , Ahmed Fouzi Tarchoun , Hani Boukeciat , Amel Meslem , Weiqiang Pang","doi":"10.1016/j.fpc.2024.11.001","DOIUrl":"10.1016/j.fpc.2024.11.001","url":null,"abstract":"<div><div>The primary objective of this study was the development of a novel energetic composite formulation, focusing on the elucidation of the influence of incorporating an energetic oxidizer, ammonium nitrate (AN), on the thermal decomposition behavior of a double-base composition, comprising nitrated potato starch (NPS) or nitrostarch as the polymeric binder and diethylene glycol dinitrate (DEGDN) as an energetic plasticizer. The optimal composition of the energetic composite was determined through theoretical performance calculations using the CEA-NASA program. The optimized AN@NPS-DEGDN energetic composite was comprehensively characterized using Fourier-transform infrared spectroscopy (FTIR), thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and scanning electron microscopy (SEM). The FTIR results demonstrated that the NPS-DEGDN demonstrated good chemical compatibility with AN. The textural analysis by SEM revealed that the AN particles are homogeneously dispersed within the NPS-DEGDN matrix. Thermal analysis results showed that the introduction of AN significantly enhanced the thermolysis-released heat of the double-base formulation. Furthermore, isoconversional kinetic modeling exhibited a substantial decrease in the composite thermolysis activation energy, corroborating the excellent catalytic effect of AN on the NPS-DEGDN composite. These findings highlight the potential of the developed AN@NPS-DEGDN composite as a promising candidate for advanced energetic applications, offering improved performance and environmental sustainability.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 302-311"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364794","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

Research progress on the synthesis of energetic N-oxides based on diazine, triazine and tetrazine 杂氮、三氮和四氮合成含能氮氧化物的研究进展

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.10.004

Jiarong Zhang, Huan Huo, Lianjie Zhai, Fuqiang Bi, Bozhou Wang

引用次数: 0

Kinetic research on the curing reaction of PBT/BPS via FT-IR measurements FT-IR法研究PBT/BPS固化反应动力学

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.09.004

Mianji Qiu , Baoyun Ye , Jiaxing Wang , Yurong Zhang , Chengyuan Hua , Xing Yan , Chongwei An , Jingyu Wang

{"title":"Kinetic research on the curing reaction of PBT/BPS via FT-IR measurements","authors":"Mianji Qiu , Baoyun Ye , Jiaxing Wang , Yurong Zhang , Chengyuan Hua , Xing Yan , Chongwei An , Jingyu Wang","doi":"10.1016/j.fpc.2024.09.004","DOIUrl":"10.1016/j.fpc.2024.09.004","url":null,"abstract":"<div><div>To investigate the reaction process between 3,3′-<em>bis</em>(aminomethyl)oxetane/tetrahydrofuran copolymer(PBT) binder and acetylenic curing agents, this study employed <em>bis</em>-propargyl-succinate (BPS) as the curing agent and <em>tris</em>(iodoacetate) trimethyl propane ester (TMP-N<sub>3</sub>) as the cross-linking agent. The curing reaction kinetics of PBT were analyzed using Fourier Transform Infrared Spectroscopy (FT-IR). The curing kinetic model was fitted by the Kamal model and the apparent activation energy (<em>E</em><sub>a</sub>) was calculated by Friedman's isoconversional method. The results indicated that the reactions of both PBT/BPS and PBT/BPS/TMP-N<sub>3</sub> are autocatalytic in nature. It was observed that with an increase in the TMP-N<sub>3</sub> content, the non-catalytic activation energy (<em>E</em><sub>a1</sub>) showed a decreasing trend, while the autocatalytic activation energy (<em>E</em><sub>a2</sub>) initially increased and then decreased. Additionally, as the curing progressed, the apparent activation energy (<em>E</em><sub>a</sub>) demonstrated an initial increase followed by a decrease. Detailed analysis of the curing kinetics at the molecular level shows that this is a combined effect of the viscosity change of the system, the diffusion of reactants, the autocatalytic effect and the interaction between molecular chains. Furthermore, the mechanical properties of elastomers in different systems were examined using a universal testing machine. The results show that as the TMP-N<sub>3</sub> content increases, the mechanical properties of the elastomers initially improve and then decrease. Among these, In the tested samples, sample P-B-N20 shows the best mechanical properties. Compared with the P-B sample, the tensile strength increased by 33.6%, and the breaking elongation increased by 15.4%.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 223-230"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364788","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

Simple synthesis of monocyclic pyrimidine-based energetic molecule with “amino–nitro–hydrazino” arrangement 简单合成以“氨基-硝基-肼”排列的单环嘧啶为基础的高能分子

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.10.002

Yuteng Cao, Tianyu Jiang, Ying Li, Honglei Xia, Yu Liu, Wenquan Zhang

{"title":"Simple synthesis of monocyclic pyrimidine-based energetic molecule with “amino–nitro–hydrazino” arrangement","authors":"Yuteng Cao, Tianyu Jiang, Ying Li, Honglei Xia, Yu Liu, Wenquan Zhang","doi":"10.1016/j.fpc.2024.10.002","DOIUrl":"10.1016/j.fpc.2024.10.002","url":null,"abstract":"<div><div>With the constant development of energetic materials, numerous explosive molecules have been synthesized, some of which feature competitive performances. However, energetic materials are directly oriented to application requirements. Therefore, more emphasis is gradually placed on route simplification and cost reduction while designing novel energetic molecules. In this work, monocyclic energetic compound 2,4-diamino-6-hydrazineyl-5-nitropyrimidine (<strong>3</strong>) was successfully obtained. This compound exhibits an alternating “amino–nitro–hydrazino” arrangement, featuring strong intramolecular hydrogen-bonding interaction. With cheap raw material, the whole reaction comprised only two steps, and exhibited simple post processing, only filtration. This novel energetic molecule possesses excellent mechanical security (<em>IS</em> > 40 J<em>, FS</em> > 360 N), acceptable thermal stability (<em>T</em><sub>d</sub> = 225 °C), and good detonation parameters (<em>D</em><sub>v</sub> = 8470 m/s, <em>P</em> = 24.9 GPa), indicating that compound <strong>3</strong> may act as a candidate of insensitive explosives.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 243-250"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364790","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

Advancing nitrocellulose thermal stability through the incorporation of ion-exchanged ZSM-5 zeolite for enhanced performance 通过加入离子交换的ZSM-5沸石，提高硝化纤维素的热稳定性，增强性能

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.09.006

Memdouh Chebbah, Ahmed Fouzi Tarchoun, Fouad Benaliouche, Amir Abdelaziz, Djalal Trache

{"title":"Advancing nitrocellulose thermal stability through the incorporation of ion-exchanged ZSM-5 zeolite for enhanced performance","authors":"Memdouh Chebbah, Ahmed Fouzi Tarchoun, Fouad Benaliouche, Amir Abdelaziz, Djalal Trache","doi":"10.1016/j.fpc.2024.09.006","DOIUrl":"10.1016/j.fpc.2024.09.006","url":null,"abstract":"<div><div>In this study, cellulose nitrate (NC), a highly energetic polymer, was supplemented with two distinct classes of stabilizing agents: the usual diphenylamine (DPA) and zeolite molecular sieves (ZSM-5) that were ion-exchanged with transition metal ions, namely copper, silver, and cobalt. The primary objective was to assess the efficacy of these Cu, Ag, and Co-ion-exchanged ZSM-5 microporous materials as stabilizers for NC in comparison to the pristine NC and sample stabilized with DPA. To study their molecular compatibility and chemical compositions, the prepared samples underwent structural characterization employing advanced analytical methods. FTIR and XRD results revealed that the morphology and the original physical and chemical properties of NC matrix were preserved. Additionally, the accelerated thermal aging analysis of the prepared samples demonstrated an enhancement in the thermal stability and overall characteristics. The thermal behavior of the different samples was also investigated by TGA, revealing that the incorporation of 3 wt.% of the Cu, Ag, and Co -ion-exchanged ZSM-5 zeolites as stabilizers considerably affected the thermolysis of NC. Specifically, the weight loss of samples was notably reduced, indicating a remarkable decrease in the thermal decomposition of NC when doped with the zeolite molecular adsorbents. In contrast, the DPA stabilizer exhibited inferior performance in mitigating the pyrolysis of NC. Furthermore, the influence of diverse stabilizers on the thermal decomposition kinetics of NC was studied based on advanced model-free kinetic approaches, namely TAS and VYA/CE. Kinetic results unveiled that the incorporation of Cu, Ag, and Co ion-exchanged ZSM-5 adsorbents provides a pronounced enhancement in the thermal stability of NC. Notably, these zeolite-based stabilizers led to an increase in the activation energy barrier, thereby contributing to improved thermal stability.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 209-222"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364913","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

Comprehensive analysis of tubular combustion chambers in Turbo-Ramjet engines for enhanced hypersonic propulsion 涡轮冲压发动机管状燃烧室增强高超声速推进的综合分析

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.11.002

Nikhil S Prakash, Akhil G, Amjith L R

{"title":"Comprehensive analysis of tubular combustion chambers in Turbo-Ramjet engines for enhanced hypersonic propulsion","authors":"Nikhil S Prakash, Akhil G, Amjith L R","doi":"10.1016/j.fpc.2024.11.002","DOIUrl":"10.1016/j.fpc.2024.11.002","url":null,"abstract":"<div><div>Anticipating a doubling in global air travel demand by 2040, the present work underscores the need for innovation in aviation propulsion systems. This study presents the design and analysis of tubular combustors for lower Mach numbers in Turbo-Ramjet engines, utilizing input parameters derived from automotive turbochargers. The combustion chamber design is based on thermodynamic analysis, incorporating empirical data for optimal configuration. Three-dimensional simulations were conducted using CATIA V5 and ANSYS 2018 software to model and analyze three geometric configurations of chamber. Various configurations, including those with and without cooling holes and swirl vanes, were used to analyze fluid dynamics and combustion behavior. Velocity and temperature profiles were assessed at specific positions along the combustor, notably at <em>x</em> = 73 mm, <em>x</em> = 138 mm, and <em>x</em> = 195 mm. Simulation results indicate that MODEL 1, without cooling holes, exhibited non-uniform combustion with a peak surface temperature. MODEL 2 showed poor flame stabilization due to the absence of a swirl vane. MODEL 3, achieved optimal performance, with a peak temperature of 2241 K and outlet temperature reduction near the walls to approximately 1124 K and with shortest ignition delay of 40 mm. These findings, supported by graphical results, highlight MODEL 3′s suitability for efficient combustor design and performance optimization.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 289-301"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364793","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

Catalytic effects of transition metal oxides on HTPB-based fuel polymer matrices 过渡金属氧化物对htpb基燃料聚合物基体的催化作用

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.09.002

Hongwei Gao , Hongsheng Yu , Yue Tang , Xiaodong Yu , Wei Zhang , Luigi T. DeLuca , Ruiqi Shen

{"title":"Catalytic effects of transition metal oxides on HTPB-based fuel polymer matrices","authors":"Hongwei Gao , Hongsheng Yu , Yue Tang , Xiaodong Yu , Wei Zhang , Luigi T. DeLuca , Ruiqi Shen","doi":"10.1016/j.fpc.2024.09.002","DOIUrl":"10.1016/j.fpc.2024.09.002","url":null,"abstract":"<div><div>Low regression rate due to difficult pyrolysis is a major challenge in the practical application of terminated hydroxyl‑terminated polybutadiene (HTPB)-based fuels in hybrid rocket propulsion. Accelerating the decomposition of the polymer matrix is an effective method to improve the regression rate of HTPB fuels. To determine the difference in combustion performance between different transition metal oxides loaded HTPB-based fuels, nickel oxide (NiO), ferric oxide (Fe<sub>2</sub>O<sub>3</sub>), copper oxide (CuO) and manganese dioxide (MnO<sub>2</sub>) were introduced into the HTPB matrix at 5% mass fraction. The experimental results showed that the metal oxides could significantly catalyze the pyrolysis of HTPB-based fuels and enhance the fuel regression rate, and the catalytic effect was mainly concentrated in the middle and late stages of the thermal decomposition process of polybutadiene components. Among the four transition metal oxides, CuO and MnO<sub>2</sub> showed better catalytic effects on the combustion performance of HTPB-based fuels in the high oxygen mass flux region, while NiO showed better catalytic effects in the low oxygen mass flux region. The present study compares the regression rate of fuel grains modified with different transition metal oxides, which provides a basis for the selection of future catalysts, verifies the catalytic effect of the transition metal oxides on the combustion of HTPB-based fuels and further analyzes the combustion reaction mechanism of the fuels.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 201-208"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364795","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

Numerical optimization of Hall effect thruster with variation in magnetic field 随磁场变化的霍尔效应推力器的数值优化

FirePhysChem Pub Date : 2025-06-01 DOI: 10.1016/j.fpc.2024.11.005

Harshit Shukla, Yashika Paharia, Akansha Raman

{"title":"Numerical optimization of Hall effect thruster with variation in magnetic field","authors":"Harshit Shukla, Yashika Paharia, Akansha Raman","doi":"10.1016/j.fpc.2024.11.005","DOIUrl":"10.1016/j.fpc.2024.11.005","url":null,"abstract":"<div><div>In the present study, numerical analyses were conducted to enhance the strength of the magnetic field. While electromagnetic coils and permanent magnets have conventionally been used for this purpose, the study explores the utilization of superconducting magnets, known for their significantly stronger magnetic fields. Through analytical tests on a thruster powered by a 5-kW source at 400 V, and 12.5 A current, computer simulations are conducted using an open-source HallThruster.jl developed using Julia language which gave 1D simulation of plasma properties of Hall effect thruster (HET), along a thrust of 0.687 N was achieved representing a three times greater increase, and specific impulse increasing to 3097 s which is 1.7 times more compared to conventional results, accompanied by improved plasma parameters. Furthermore, to study the particle behavior the Particle In cell (PIC) approach was utilized, from which particle motion due to the magnetic field was achieved. By enhancing the magnetic field, we can significantly boost thrust, unlocking new possibilities for exploring distant planets and conducting long-duration space missions. Utilizing superconducting materials ensures continuous, efficient operation with increased thrust and fewer operating payloads, ultimately enhancing overall spacecraft functionality. This advancement paves the way for future innovations in space exploration and applications.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"5 3","pages":"Pages 274-288"},"PeriodicalIF":0.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144364792","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