FirePhysChem最新文献

{"title":"Study on micro-mechanism of impact fracture and combustion performance of porous gun propellant based on plane stress","authors":"Jihua Liu,&nbsp;Ruihua Zhang,&nbsp;Jing Zhou,&nbsp;Hongli Zhao","doi":"10.1016/j.fpc.2025.08.009","DOIUrl":"10.1016/j.fpc.2025.08.009","url":null,"abstract":"<div><div>The microscopic impact damage law and combustion performance of propellants are crucial for evaluating mechanical properties and ensuring the safety of propellant charge designs. The paper conducted transverse drop hammer impact tests at both normal and low temperatures, as well as closed bomb tests on the propellant after it sustained damage. The application of the discrete element method (DEM) was used to study the consistency of plane stress between two-dimensional and three-dimensional models of propellant. It was found that both the fracture shape of the end face and the drop hammer force are consistent across the models. Based on these findings, a detailed model of the propellant was constructed. Impact fracture simulations of the propellant at both normal and low temperatures were conducted. The results yielded the drop hammer force, maximum intact bond force, and the evolution of crack patterns. The error in the peak drop hammer force between the simulation and experimental results was 4.3% and 3.6%, respectively, indicating a strong correlation in the force curve amplitude and trend. These findings reveal the micro-evolution mechanism of bond fracture. The combustion performance of the fractured propellant was simulated using an equilateral triangle combustion model. The error in the degree of propellant fracture between simulation and experiment was 3.3% and 4.9%, respectively. This demonstrates that the established simulation model effectively elucidates the micro-mechanisms of impact fracture and the combustion performance of porous propellant. The research results provide valuable technical support for the evaluation of mechanical properties and the formulation design of propellant.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 286-297"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573388","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}

{"title":"Ignition and combustion characteristics of gel TMEDA and liquid WFNA in a hypergolic system","authors":"A.O. Pleshko,&nbsp;K.K. Paushkina,&nbsp;N.P. Nadymova,&nbsp;N.A. Trashkov,&nbsp;V.V. Zhuk,&nbsp;O.V. Vysokomornaya,&nbsp;D.O. Glushkov","doi":"10.1016/j.fpc.2026.01.011","DOIUrl":"10.1016/j.fpc.2026.01.011","url":null,"abstract":"<div><div>An experimental study was conducted on the ignition and combustion characteristics of a hypergolic system consisting of tetramethylethylenediamine C₆H₁₆N₂ (fuel), thickened with 5 wt% silicon dioxide SiO₂, and highly concentrated nitric acid HNO₃ (oxidizer) in a liquid state. In the experiments, gel fuel particles with a diameter of 2.5 mm were dropped from different heights (5 cm, 10 cm, 15 cm and 20 cm) onto a liquid oxidizer layer with a volume of 2 ml. Using high-speed video recording, the following characteristics were recorded: ignition delay times and burnout times of fuel components; the burnout area of the flammable vapor-gas mixture; the average velocity of fragments during a microexplosion. Flame temperatures were determined using high-speed two-color pyrometry. Also, using the Schlieren method, the characteristics were recorded: area and velocity of vapor propagation. Based on the experimental data obtained, a hypothesis was formulated regarding the ignition and combustion mechanism of hypergolic fuel system components (gel fuel particle and liquid oxidizer layer).</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 365-376"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573392","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}

{"title":"What are the prospects for energetic materials bearing the 1,3-dinitro-1,3-diazabutyl group: A breakthrough or an impasse?","authors":"Andrey A. Kulikov,&nbsp;Dmitry B. Vinogradov,&nbsp;Michael S. Klenov,&nbsp;Nikita E. Leonov,&nbsp;Pavel V. Bulatov,&nbsp;Aida I. Samigullina,&nbsp;Yurii A. Strelenko,&nbsp;Konstantin A. Monogarov,&nbsp;Tatiana S. Kon'kova,&nbsp;Yurii N. Matyushin","doi":"10.1016/j.fpc.2025.09.003","DOIUrl":"10.1016/j.fpc.2025.09.003","url":null,"abstract":"<div><div>The synthesis of novel energetic compounds for the development of propellants and powders with significantly improved characteristics is an important and complex task. The combination of little- studied hydrogen-containing explosophoric groups and high nitrogen heterocycles is a powerful strategy for creating the compounds needed to address this challenge. A number of energetic substituted furazans, bearing a rare 1,3-dinitro-1,3-diazabutyl group, were synthesized and their properties were thoroughly studied. The resulting (1,3-dinitro-1,3-diazabutyl)furazans <strong>1b</strong>–<strong>f</strong> have good thermal stability (onset decomposition temperatures 124–160 °C), high experimental enthalpies of formation (947–1528 kJ/kg) and acceptable densities (1.60–1.70 g/cm³). In terms of detonation performance, all synthesized compounds (detonation velocities <em>D</em> = 8.0–8.3 km/s, detonation pressures <em>P</em>_C–<em>_J</em> = 27–30 GPa) are comparable with pentaerythritol tetranitrate (PETN) (<em>D</em> = 8.3 km/s, <em>P</em>_C–_J = 31 GPa). For novel compounds \"structure-property\" relationships have been revealed that will allow predicting the key energetic characteristics of hypothetical compounds containing 1,3-dinitro-1,3-diazabutyl explosophoric group.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 326-335"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573386","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}

{"title":"Agglomeration and aggregation of particles. Considerations based on the entropy of mixing using a stochastic approach","authors":"Dieter Vollath","doi":"10.1016/j.fpc.2025.08.006","DOIUrl":"10.1016/j.fpc.2025.08.006","url":null,"abstract":"<div><div>It is well-known that larger quantities of fine powders, such as. nanoparticles, have the tendency to form larger clusters. These clusters may be stable aggregates or loosely bound agglomerates. These processes are of importance in the case of particle additions to rocket fuel. The formation of these secondary particles is a random process that can be described mathematically based on von-Smolukowski theory or by the application of appropriate statistical methods. In the context of this paper, a combination of Markov chains with Monte Carlo calculations was selected for the analysis. These calculations taught that the entropy is an important tool for describing the stability of the newly formed larger particles, stable aggregates, or loosely-bonded agglomerates. Another important and new result of these calculations was the finding that the maximum size of the aggregates is limited. This is not observed in the case of less stable bond agglomerates. In the case of dimensionless primary particles, the size distribution of the aggregates and agglomerates follows exactly an exponential function. In the case of agglomerates, this statement is valid for agglomerating objects with entropy values smaller than the maximum.This situation is different in cases where the real geometry of the particles is taken into account. In this case, the particle size distribution comes, in cases of larger numbers of interaction between the particles, close to a Poisson distribution. This is verified by comparing with the experimental data.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 265-273"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573385","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}

{"title":"Research on the application of azido-based energetic plasticizer 1,5-diazido-3-oxopentane in polyether-based solid propellants","authors":"Dan Zhao,&nbsp;Wuxi Xie,&nbsp;Jieyu Luan,&nbsp;Yajing Liu,&nbsp;Xudong Sun,&nbsp;Lun Wang,&nbsp;Dong Li,&nbsp;Fulei Gao,&nbsp;Bin Chen,&nbsp;Feng Ding,&nbsp;Hengning Zhang,&nbsp;Xiaolong Fu,&nbsp;Yinglei Wang,&nbsp;Yu Zhao","doi":"10.1016/j.fpc.2025.08.005","DOIUrl":"10.1016/j.fpc.2025.08.005","url":null,"abstract":"<div><div>1,5-Diazido-3-oxopentane (AZDEGDN) is a promising energetic plasticizer widely used in explosive formulations due to its low sensitivity, low glass transition temperature, and high thermal stability. However, its application in solid propellants requires further investigation. In this study, the physicochemical properties of AZDEGDN based propellant samples were characterized using differential scanning calorimetry (DSC), thermogravimetric analysis (TGA), vacuum stability test (VST), hot-stage polarized light microscopy (HSPLM), rheological testing, dynamic mechanical analysis (DMA), and accelerated aging test. The study shows that AZDEGDN exhibits chemical compatibility with glycidyl azide polymer (GAP), poly(3,3-bis(azidomethyl)oxetane)-co-tetrahydrofuran (PBT), polyethylene glycol (PEG), poly(tetrahydrofuran)-co-ethylene oxide (PET), aluminum (Al), ammonium perchlorate (AP), dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate (TKX-50) and 1,3,5,7-tetranitro-1,3,5,7-tetrazocane (HMX). Notably, the AZDEGDN/GAP mixture demonstrates a 99.42 % reduction in viscosity compared to pure GAP, and the plasticizing efficiency of AZDEGDN is higher than butylnitroxyethyl nitramine (Bu-NENA). The propellant containing PET and AZDEGDN exhibits a glass transition temperature of -79 °C. VST results confirmed the good thermal stability of the solid propellant samples (gas evolution &lt; 0.6 mL). HSPLM imaging revealed that AZDEGDN based propellant only shows mild degradation and expansion after heating from 30 °C to 300 °C. Accelerated aging test indicated robust physical compatibility between AZDEGDN and propellant components, with superior resistance to migration during long-term storage. In conclusion, AZDEGDN is a promising energetic plasticizer with good compatibility and plasticization efficiency which can be used in polyether-based solid propellants.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 249-264"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573384","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}

{"title":"The energy release characteristics of propylene oxide explosions: Experiments and molecular dynamics simulations","authors":"Shaoming Zhang ,&nbsp;Chenkai Hao ,&nbsp;Xin Zhang ,&nbsp;Ting Zhang ,&nbsp;Yun Zhang ,&nbsp;Qing Pei ,&nbsp;Fengqi Zhao ,&nbsp;Yang Zhang ,&nbsp;Siyu Xu ,&nbsp;Weiguo Cao","doi":"10.1016/j.fpc.2025.08.007","DOIUrl":"10.1016/j.fpc.2025.08.007","url":null,"abstract":"<div><div>Propylene oxide (PO) is highly prone to explosion during production, storage, transportation and weaponization, which can lead to major accidents. This paper studies the energy release characteristics of PO and gains an in-depth understanding of its destructive power. The explosion characteristics and microscopic chain reaction mechanism of PO were studied through a combination of experiments and simulations. Explosion kinetic parameters of different concentrations of PO in closed and vented conditions were explored through a cylindrical explosion experiment device. The results showed that under closed and vented conditions, the maximum explosive concentration of PO was 250 g/m³. At 250 g/m³, the venting flame presents an under-expansion structure. The break flame was noted at 500 and 750 g/m³. Combustion of PO at the molecular level was studied through the reaction force field molecular dynamics simulation. The trend of its potential energy and main products with temperature were revealed. PO was consumed more quickly as the temperature rose, and the apparent activation energy during the initial decomposition stage was determined to be 179.83 kJ/mol. H₂O and CO₂ were final products of PO combustion. Main intermediate products identified were CO, CH₂O, H₂O₂, H₂, •CHO, •CHO₂, •OH and so on. High temperature promoted the collision frequency and energy transfer efficiency between molecules, advancing the peak regions of H₂O, CO₂, CH₂O, and H₂O₂.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 274-285"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148415300","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":"Studies on creep–recovery viscoelastic behavior of high-energetic composite propellants using dynamic mechanical analyser (DMA)","authors":"Nellutla Pandarinath Rao,&nbsp;Bipin Kumar Bihari,&nbsp;Sunil Jain,&nbsp;Deepak Yadav,&nbsp;Kshitija Vaidya,&nbsp;Balasubramanian Kandasubramanian","doi":"10.1016/j.fpc.2026.03.005","DOIUrl":"10.1016/j.fpc.2026.03.005","url":null,"abstract":"<div><div>Reliable assessment of the long-term structural integrity of solid rocket motors requires quantitative understanding of the stress- and temperature-dependent viscoelastic response of composite propellants subjected to sustained thermo-mechanical loading. In highly filled energetic formulations, minor variations in formulation architecture and energetic filler chemistry (e.g., HMX and RDX) can induce disproportionate changes in creep–recovery behavior, thereby influencing dimensional stability, stress redistribution, and service life. In this study, the creep–recovery response of three high-energetic composite propellants (C-I, C-II, and C-III) is systematically investigated using dynamic mechanical analysis over a broad stress range (0.1–3 MPa) and temperature domain (-20 °C to 55 °C), representing one of the first comprehensive evaluations encompassing both HMX- and RDX-based fillers under combined thermo-mechanical conditions. Viscoelastic constitutive modeling reveals that the Burgers model provides the most robust and physically interpretable representation of the strain–time response, resolving instantaneous elastic deformation, time-dependent viscoelastic creep, and irreversible viscous strain with high fidelity. All formulations exhibit primary and secondary creep without onset of tertiary creep within the investigated regime. Among the compositions, C-III demonstrates the highest resistance to time-dependent deformation and superior load-bearing capacity, whereas C-II shows elevated compliance and accelerated strain accumulation at increased stress and temperature, with C-I exhibiting intermediate behavior. Post-DMA scanning electron microscopy corroborates these rheological trends, revealing formulation-dependent interfacial debonding, void nucleation, cavitation, and matrix plasticization, thereby establishing a direct structure–property correlation governing the sustained-load viscoelastic stability of high-energetic composite propellants.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 344-355"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573387","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}

{"title":"Modeling the combustion chemistry of typical nitramine monopropellants: A critical review","authors":"Hongqiang Zhang,&nbsp;Yan Zhang,&nbsp;Xiaoyuan Zhang","doi":"10.1016/j.fpc.2025.09.001","DOIUrl":"10.1016/j.fpc.2025.09.001","url":null,"abstract":"<div><div>Solid propellant is the power source of various types of solid engines, such as missiles and space vehicles, and its combustion performance directly affects the combat effectiveness and survivability of missile weapons. The chemical reaction kinetics of solid propellant is useful for understanding the combustion chemistry of real energetic materials, guiding the efficient and successful design of next-generation propellants, and warning of the risks during practical processing and application. In this paper, the chemical reaction kinetics of typical nitramine monopropellants, i.e., cyclotrimethylenetrinitramine (RDX), cyclotetrimethylenetetranitramine (HMX), and hexanitrohexaazaisowurtzitane (CL-20), is reviewed, including the thermal decomposition of nitramines in the condensed and gas phase, the reaction mechanism of small molecules in the gas phase, and the model performance of current nitramine propellants. In terms of the primary decomposition mechanism of each nitramine monopropellant, the formation pathways of fuel-specific intermediates and the distribution of major volatiles are discussed based on the comparison of theoretical calculations and experimental measurements. In terms of the gas-phase reaction mechanism, recent nitrogen-involved fundamental reaction mechanisms are reviewed, and the C<img>N interaction mechanisms in propellant systems are also discussed. In the past two decades, modeling methods for solid propellants have made remarkable progress, especially in the development of condensed-phase reaction kinetics, which have evolved from the previous global reaction mechanism of several steps to the detailed reaction mechanism based on high-level quantum chemistry methods. However, at present, the initial decomposition mechanism of solid propellant cannot accurately predict the fuel-specific intermediates measured in the experiments, and there is an urgent need for the development of combustion models based on ab initio principles with acceptable predictability.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 298-325"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573389","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}

{"title":"Effect of titanium dioxide on the burning rate and agglomeration parameters of aluminized composite propellant","authors":"Oleg.G. Glotov,&nbsp;Natalya S. Belousova,&nbsp;Ivan V. Sorokin,&nbsp;Angelina A. Makarova,&nbsp;Grigory S. Surodin,&nbsp;Alexander S. Yunoshev","doi":"10.1016/j.fpc.2026.01.017","DOIUrl":"10.1016/j.fpc.2026.01.017","url":null,"abstract":"<div><div>The combustion characteristics of composite propellants based on ammonium perchlorate, aluminum powder, active binder, and optionally a modifier additive – titanium dioxide of various types in an amount of 1.5%, were studied experimentally at pressures of 0.35 MPa in nitrogen and 0.1 MPa in air. The burning rate, particle size and morphological composition the condensed combustion products were determined. The types of TiO₂ powders were obtained from different manufacturers. One of them was produced by the authors in a combustion mode. It has been established that the use of some TiO₂ powders leads decrease in the mass of agglomerates, and to an increase in the burning rate in air. These powders are recommended for further research under a broader range of conditions.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 356-364"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573391","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}

{"title":"Formation of condensed products during combustion of boron-based high-energy compositions","authors":"Alexander G. Korotkikh,&nbsp;Ivan V. Sorokin,&nbsp;Oleg G. Glotov","doi":"10.1016/j.fpc.2026.03.012","DOIUrl":"10.1016/j.fpc.2026.03.012","url":null,"abstract":"<div><div>The methods and results of measuring the burning rate and quenching and sampling of the condensed combustion products (CCPs) near the combustion surface for high-energy compositions (HECs), containing various dispersed boron-based fuels as B, Al/B mixture, AlB₂, and AlB₁₂, are presented. The sampling of the CCPs formed during the combustion of HEC sample was carried out in a constant-pressure cylindrical flow chamber with a filter system. It was found that at a chamber pressure of 4 MPa, the highest burning rate is typical for HECs with B and mixture Al/B powder due to their higher specific surface area and particle reactivity. For HECs with AlB₂ and AlB₁₂, the burning rate is 10% lower than the maximum rate. The combustion of the boron particles or a mixture of Al and B particles in the HEC reaction layer is accompanied by conglomeration, which increases the average particle size of CCPs by 5.5–6.5 times compared to the initial average particle size of the dispersed metal fuel. During combustion of the AlB₂ and AlB₁₂ particles, both simple and complex (5Al₂O₃·B₂O₃, borate) crystalline oxides are formed in the surface reaction layer of the HEC. The proportion of fine oxide particles increases, while the average size of the CCP particles is 6.6 µm and 9.4 µm, respectively.</div></div>","PeriodicalId":100531,"journal":{"name":"FirePhysChem","volume":"6 3","pages":"Pages 336-343"},"PeriodicalIF":5.1,"publicationDate":"2026-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148573390","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}