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ZHANG Ai-ya, HU Jun-biao, HUANG Wei, LIU Yu-ji, TANG Yong-xing
Online:April 14, 2025 DOI: 10.11943/CJEM2025034
Abstract:5,7-Diamino-8-nitrotetrazolo[1,5-c]pyrimidine (
3 ) was synthesized by a two-step reaction of nitration and cycloaddition using 2,4-diamino-6-chloropyrimidine (1 ) as raw material. The structure of3 was characterized by nuclear magnetic resonance spectrometer (NMR), Fourier transform infrared spectrometer (FT-IR), elemental analyzer (EA) and single crystal X-ray diffractometer (SC-XRD). The thermal behavior of3 was analyzed by differential scanning calorimeter (DSC) and thermogravimetric (TG). The detonation properties were calculated by Gaussian and Explo5. The sensitivities were measured using BAM impact and friction sensitivity testers. The results show that the crystal of compound3 ·DMSO belongs to monoclinic system, space group P21/c, and the cell parameters are a=4.7331(3) ?, b=22.8991(13) ?, c=10.6580(6) ?, α=90°, β=99.758(2)°, γ=90°, V=1138.44(12) ?3, Z=4. The crystal density is 1.600 g·cm-3 (296 K). The theoretical detonation velocity and pressure of3 are 8570 m·s-1 and 28.2 GPa, respectively. The impact and friction sensitivities of3 are 22 J and 305 N, respectively. -
QIN Ya-qi, ZHANG Guang-yuan, LU Ming, WANG Peng-cheng
Online:April 10, 2025 DOI: 10.11943/CJEM2025029
Abstract:To promote the green development of energetic materials and improve their thermal stability and energy performance, the electrochemical synthesis of tetrazole-1,3,4-oxadiazole azo energetic compounds (H2AzAOT) and its metal salts (Mn-AzAOT, Zn-AzAOT, Pb-AzAOT) were studied by inserting the azoxadiazole ring block into the molecule. The structures of H2AzAOT and its metal salts were characterized by single crystal X-ray diffraction, infrared spectroscopy and nuclear magnetic resonance. The thermal stability, impact sensitivity and friction sensitivity were studied by differential scanning calorimetry and standard BAM method. The detonation performances were calculated by EXPLO5 program. The results indicate that H2AzAOT and its metal salts have excellent physicochemical properties. Among them, the theoretical detonation velocity (D) and detonation pressure (p) of H2AzAOT are 8511 m·s-1 and 28.9 GPa, respectively. The D and p of Pb-AzAOT are 8934 m·s-1 and 29.7 GPa, respectively. The detonation performances of both compounds are significantly better than that of the traditional heat-resistant and insensitive energetic material hexanitrostibene (HNS) (D=7612 m·s-1, p=24.7 GPa).
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CAO Luo-xia, WANG Hao, ZHOU Tian-yu, HUANG Qian, LV Zi-jain, ZHOU Yang
Online:April 09, 2025 DOI: 10.11943/CJEM2025014
Abstract:To overcome the limitations of conventional cook-off models in full-chain prediction of explosive formulations and charge behaviors while eliminating post-ignition temperature field singularities, a multi-component parameter fitting model was systematically applied to investigate the thermal decomposition response and cook-off characteristics of polymer-bonded explosives (PBX-9501, PBX-9502, and novel PBX-4). A component parameter-driven full-process simulation framework was established through coupled multi-physics modeling integrating Arrhenius reaction kinetics with the JWL product gas equation of state, enabling numerical characterization from initial thermal decomposition to final casing rupture. Validation results demonstrated that ignition time prediction errors for PBX-9501 and PBX-9502 were 3.4% and 5.7% respectively compared with experimental data. Ignition time deviation for PBX-4 prediction reached 2.3% against validation experiments. Dynamic regulation of product gas parameters stabilized explosion temperatures within 3328-3502 K, effectively resolving temperature singularity issues inherent in traditional solid-phase cook-off models.
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PENG Yue, ZHANG Lei, XIE Ming-wei, YUAN Xiao-xia, MA Hong-liang, LI Fang, LI Ming
Online:April 09, 2025 DOI: 10.11943/CJEM2025032
Abstract:To further improve the accuracy of the Virial-Peng-Long (VPL) equation of state (EOS) in describing the thermochemical relations of gaseous detonation products, and to enhance the accuracy of the VPL EOS in predicting the detonation performance of energetic materials, the abnormal inflection points in the short-range repulsive stage were corrected based on the analysis of the mathematical form of Exponential-6 (Exp-6) potential to obtain a novel exponential molecular potential: Exponential-6modified (Exp-6m) with the globally continuous and smooth potential function curve. On this basis, a high-order virial type gaseous detonation product EOS: Virial-Peng-Long modified (VPLm) EOS was established based on the theoretical values of 2-5th virial coefficients of Exp-6m potential. On one hand, the detonation Chapmann Jouguet (C-J) parameters of oxygen rich equilibrium explosives such as PETN and NG, as well as high-energy density explosives such as CL-20, were calculated using the VPLm EOS. The results show that VPLm EOS can accurately evaluate the detonation performance for explosives. The prediction deviation of detonation C-J pressure of PETN at higher densities less than 1.5%, and the prediction deviation of detonation velocity of high-density CL-20 can also be controlled within 1.6%. The calculation accuracy has been significantly improved compared to the VPL EOS. On the other hand, VPLm EOS was applied to calculate the detonation velocity of typical metal-containing primary explosive, lead azide (LA), at different densities. The results show that the VPLm EOS had better accuracy in predicting the detonation velocity of LA than Explo5 and CHEETAH, and can more accurately evaluate the detonation velocity of LA at higher densities compared to the VPL EOS.
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YAO Ya-jing, DU Xi-feng, ZHANG Xin-hui, ZHANG Yu-xin, HU Shuang-qi, FENG Yong-an
Online:April 08, 2025 DOI: 10.11943/CJEM2024248
Abstract:To develop efficient Burning rate catalyst (BRC), a key component for regulating solid propellant combustion performance, and to explore the role of single-atom catalysts, a Fe single-atom catalyst supported on porous carbon carrier (Fe-NC@PC) was designed and synthesized. The composition and morphology were thoroughly characterized by X-ray powder diffractometer (XRD), X-ray photoelectron spectroscopy (XPS), scanning electron microscope (SEM), transmission electron microscope (TEM), high-angle annular dark-field scanning transmission electron microscope(HADDF-STEM) and X-ray absorption fine structure (XAFS). Moreover, the effect of Fe-NC@PC on thermal decomposition for energetic materials within solid propellant was investigated via thermogravimetric-differential scanning calorimetry (TG-DSC). Results show that Fe atoms in Fe-NC@PC were anchored on the carrier surface via Fe-N bonds with the loading amount of 0.98%. Upon the addition of 5% Fe-NC@PC, the thermal decomposition peak temperature of 1,1-diamino-2,2-dinitroethylene (FOX-7), cyclo-1,3,5,7-tetramethylene-2,4,6,8-tetranitramine (HMX), hexanitrohexaazaisowurtzitane (CL-20) and Dihydroxylammonium 5,5’-bistetrazole-1,1′-diolate (TKX-50) decreased by 34.6 ℃, 9.4 ℃, 6.3 ℃ and 27.9 ℃, respectively, demonstrating clear catalytic effects. Additionally, the apparent activation energies were also altered.
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WANG Fei, WANG Tian-shuai, ZHANG Wei-hai, LIU Jin-xiang, ZHANG Qiu-yu
Online:April 08, 2025 DOI: 10.11943/CJEM2024305
Abstract:Understanding thecorrelations between solid propellant composition, burning rate characteristics, and safety parameters including the impact, friction, and electrostatic spark sensitivities for both HTPB (Hydroxyl-Terminated Polybutadiene) propellant slurry and its final cured product is crucial for optimizing both the safety profile and performance characteristics of solid composite propellants. This study systematically applies the grey relational analysis method to quantitatively evaluate the relationships between formulation parameters(aluminum content, ammonium perchlorate content, RDX proportion and the total solid loading in the overall mass) and burn rate with the safety parameters measured for both HTPB propellant slurry and its final product. The key influencing factors for each sensitivity parameter were identified. The results indicate that ammonium perchlorate content exhibits the strongest correlation with both impact and electrostatic spark sensitivities in HTPB propellant slurry, while RDX content displays the predominant influence on friction sensitivity. Regarding the sensitivity of the final cured product, aluminum content emerges as the dominant factor influencing impact sensitivity, whereas burning rate and solid content become the primary determinants affecting the friction and electrostatic spark sensitivity, respectively.
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HU Xing-quan, WU Hao, ZHANG Yi-ying, XU Cheng, ZHAI Lian-jie, WANG Bo-zhou
Online:April 08, 2025 DOI: 10.11943/CJEM2025019
Abstract:3-Nitro-1,2,4-triazole-5-one (NTO) is a typical insensitive energetic material that combines low sensitivity, high energy density, and a simple manufacturing process. In recent years, it has attracted significant attention from researchers. The crystallization characteristics of NTO, including crystal morphology and particle size, are critical factors in its production and application, directly influencing its flowability, bulk density, formulation safety, and detonation performance.This study presents a systematic review of recent advancements in NTO crystallization and modification technologies, covering aspects such as crystallization fundamentals, particle size and morphology control, cocrystal formation, and coating techniques. Particular emphasis is placed on the thermodynamic and kinetic properties of NTO crystallization in commonly used solvents, as well as the application of spherulization techniques. Furthermore, the study highlights effective strategies for simultaneously enhancing both energy performance and safety through cocrystal and coating approaches.It is recommended that future research efforts further explore or strengthen green crystallization techniques based on aqueous systems, the preparation of spherical single crystals, crystallizer design, and flow field simulations. These advancements will facilitate precise control of crystallization processes in industrial production and accelerate the development of multi-specification NTO crystal products tailored to various application scenarios.
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ZHANG Li, ZOU Jia, CHEN Zheng-guo, YU Si-jia, LI Hao-ran, SHI Hai-chuan, HUANG Ming, YANG Hai-jun
Online:April 08, 2025 DOI: 10.11943/CJEM2025025
Abstract:In order to solve the problems of high temperature and high pressure in the synthesis of 1-methyl-3,4, 5-trinitropyrazole (MTNP), a new method of simple synthesis of MTNP was developed, that is, 4-chlorpyrazole (
1 ) was used as raw material, and MTNP was synthesized by nitration, n-methylation, benzylamine amination and oxidation. The effects of material ratios, temperatures, solvents, debenzylation reagents, and oxidation conditions on the yields of 4-benzylamino-1-methyl-3,5-dinitropyrazole (4 ), 4-amino-1-methyl-3,5-dinitropyrazole (5 ), and MTNP were investigated. Fourier transform infrared spectroscopy (FT-IR), nuclear magnetic resonance (NMR) and high performance liquid chromatography (HPLC) were used to characterize the structures of the intermediates and target compounds. The results showed that when the intermediate4 was synthesized, the molar ratio of n(benzylamine):n(4-chloro-1-methyl-3,5-dinitropyrazole,3 )=6∶1, the reaction temperature was 35 ℃, and petroleum ether/water was the solvent, the yield was 89.6%. In the synthesis of intermediate5 , concentrated sulfuric acid (98%) was used as debenzyl reagent, and the yield was 95.2%. The yield of MTNP was 60.5% by using intermediate4 as substrate and “one-pot method” of debenzylation/oxidation. By optimizing the reaction conditions, the total yield of MTNP synthesized from raw material1 by one-pot method was 41.5% and the purity was 98% (area normalization method). -
LI Man-man, XU Ming-hui, GUO Zhi-gang, YUE Chun-hui, WANG Qiong-lin, YANG Wei-tao
Online:April 07, 2025 DOI: 10.11943/CJEM2025033
Abstract:In order to investigate the effects of a new energetic photocurable binder terminal acrylate based poly(3-nitratomethyl-3-methyloxetane) (APNIMMO), on the thermal decomposition and combustion properties of RDX-based photocurable gun propellants, a high-energy APNIMMO/RDX gun propellant sample was designed and fabricated by 3D printing. The thermal decomposition process and related kinetic parameters of the APNIMMO/RDX photocurable gun propellant were studied using differential scanning calorimetry (DSC) and thermogravimetry-differential scanning calorimetry-Fourier transform infrared spectroscopy-gas chromatography (TG-DSC-FTIR-GC). The combustion performance of the APNIMMO/RDX photocurable gun propellant was evaluated using a closed bomb tester. The results indicate that the thermal weight loss of the APNIMMO/RDX photocurable gun propellant occurs in two main stages. Thermogravimetry and gas product escape mainly focus on the first stage(158.9-234.3 ℃), In this stage, tthe thermal decomposition of APNIMMO/RDX begins with the exothermic decomposition of APNIMMO, promoting the melting and decomposition of RDX. This causes RDX to decompose earlier, leading to a lower critical explosion temperature (Tpe) for APNIMMO/RDX compared to pure RDX. The second stage (234.3 ℃ to the end of the test) presents a “thermal neutral” state with neither exothermic nor endothermic behavior, mainly attributed to the slow decomposition of the APNIMMO backbone after the complete decomposition of its side-chain nitrate ester groups. The results of combustion performance show that the burning rate coefficient of APNIMMO/RDX propellant is low, the pressure index is high, and there are a large number of holes on the surface of the sample of the aborting combustion test. The analysis shows that in the APNIMMO/RDX propellant system, the burning rate of RDX is higher than that of APNIMMO binder under high pressure due to the large content of RDX. The difference in burning rate between the two causes the heat and pressure generated by combustion to penetrate into the entire propellant along the formed holes, and the process is greatly affected by pressure, so the pressure index is high.
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LUO Chun-wang, GOU Rui-jun, YU Xiao-dong, ZHANG Shu-hai, ZHANG Peng, PEI Shui-wang
Online:April 07, 2025 DOI: 10.11943/CJEM2024279
Abstract:In order to investigate the influencing factors of the pressing effect and safety of the irregular-shaped charges, numerical simulation of the pressing process of the irregular-shaped JH-2 charge, with a diameter of D=88 mm, a molding height of H=132 mm, and a wedge angle of α=60°, was carried out by using the dynamics of continuous media method in the Marc finite element software, and the effects of process parameters such as pressing pressure, pressing rate, initial relative density, friction coefficient, and holding time on the forming of the charges, including the molding density and internal stress, were studied systematically. The results show that the density and stress distributions inside the irregular-shaped charge are nonuniform, and there are obvious regions of density loose and stress concentration. The pressing pressure, initial relative density, holding time and friction coefficient affect the molding density and stress distribution of charges simultaneously, while the pressing pressure, initial relative density and pressing rate are the main factors affecting the stress concentration of the irregular-shaped charge. In view of this irregular-shaped structure, when the pressing pressure is 300-350 MPa, pressing rate is 1.5 mm·s-1, initial relative density is 0.65, friction coefficient is 0.15, and holding time is 120 s, the density distribution of the irregular-shaped charge is relatively uniform, and the stress gradient difference is small, which can improve the molding quality, reduce the stress concentration and avoid cracks, and ensure the charging safety.
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CHEN Zheng-guo, ZHANG Li, ZOU Jia, LI Hao-ran, ZHANG Xiao-tian, XIE Hu-gen, SHI Hai-chuan, ZHOU Qian-zai, HUANG Ming, YANG Hai-jun
Online:April 07, 2025 DOI: 10.11943/CJEM2025024
Abstract:Energetic potassium 3,8-dinitro(pyrazolo[5,1-c][1,2,4]triazin-4-yl)nitramide (
4 ) with a 3-dimensional metal-organic framework (3D EMOF) was synthesized via diazotization, cycloaddition and nitration by using 5-aminopyrazole (1 ) as raw material. Compound4 was characterized and analyzed by nuclear magnetic resonance (NMR), Fourier infrared spectroscopy (FT-IR), mass spectrometry (MS), single crystal X-ray diffraction (SC-XRD), and differential scanning calorimetry (DSC). The friction sensitivity and impact sensitivity of compound4 were tested according to BAM standard. The detonation performance of compound4 was predicted by EXPLO 5 software based on isodesmic reaction. Results show that the crystal of compound4 belongs to monoclinic system, space groups Pn and P21/c, exhibits a 3-dimensional metal-organic framework (MOF) structure with a density of 2.021 g·cm-3 at 150 K. Compound4 has a thermal decomposition temperature of 203.4 ℃, a theoretical detonation velocity of 8717 m·s-1, a theoretical detonation pressure of 33.5 GPa, a friction sensitivity of 168 N, and an impact sensitivity <3 J. -
ZHANG Cheng, YANG Wen-jin, SONG Jiang-wei, ZHANG Jun-qi
Online:March 25, 2025 DOI: 10.11943/CJEM2025011
Abstract:To address the low energy release efficiency of aluminum powder as a metallic fuel, aluminum-based composite fuels containing 3%-6% polyvinylidene fluoride (PVDF) were prepared using mechanical alloying. The powders were characterized using scanning electron microscopy (SEM) and X-ray diffraction (XRD) to analyze their microstructures and phase compositions. The active aluminum content was measured by gas volumetric analysis, and the combustion calorific values were determined using oxygen bomb calorimetry. Thermal oxidation properties were evaluated through thermogravimetric-differential scanning calorimetry (TG-DSC) and a custom-built rapid heating oxidation setup. SEM and XRD results revealed that the composite aluminum powder modified with 4% PVDF dispersion prevented the formation of a continuous Al?O? shell during heating. TG-DSC analysis showed a 76.7% oxidation weight gain at 1300 ℃ for the composite powder, representing a 35.8% improvement over pure aluminum powder (40.9%). Rapid oxidation tests at 1100 ℃ demonstrated a 64.6% weight gain after 120 s for the composite powder, which is 41.2% higher than the 23.4% weight gain of pure aluminum. These findings highlight the critical role of PVDF dispersion modification in enhancing the oxidation activity and efficiency of aluminum powder.
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CHEN Wen-cong, DENG Hao-yuan, SHI Qing-wen, ZHANG Zi-yi, SUN Yi, LUO Guo-qiang, SHEN Qiang
Online:March 25, 2025 DOI: 10.11943/CJEM2025008
Abstract:To elucidate the effect of polyvinylidene fluoride (PVDF) content on the combustion performances of aluminum-based solid propellants, Al@PVDF composite powders with coating contents ranging from 2% to 14% were prepared via the solvent and non-solvent method. The thermal reactivity of Al@PVDF composite powders and the energy release and combustion performances of the corresponding solid propellants were analyzed using thermogravimetric-differential scanning calorimetry, constant volume combustion tests, and simultaneous ignition experiments. Results indicate that the PVDF coating significantly enhances the thermal reactivity of aluminum. At the 6% PVDF coating content, the aluminum powder achieves the maximum thermal weight gain and exothermic enthalpy value of 78.96% and 16.14 kJ·g-1, respectively. As the PVDF content increases, the energy release of solid propellants exhibits a trend of initial increase, following by a decrease, subsequent re-increase, and final decline, and reaching the maximum heat release of 6026 J·g-1 and pressurization of 4.45 MPa at 10% coating content. The ignition delay time of aluminum-oxygen reaction decreases from 53 ms to 12 ms. The pressure exponent of burning rate underwent a three-stage evolution, declining from 0.43 to 0.36, and further to 0.26. Analysis of condensed combustion products (CCPs) reveals a stage-dependent mechanism of PVDF content on combustion performances: the low coating content (2%-4%) inhibits molten aluminum agglomeration via pyrolysis products; the medium content (6%-8%) accelerates particle fragmentation and ignition but induces secondary agglomeration; the high content (10%-14%) generates excessive pyrolysis products that promote secondary fragmentation of agglomerates in gas-phase region.
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HONG Tian-jiao, KANG Yan, TIAN Peng-fei, XUAN Fu-zhen
Online:March 25, 2025 DOI: 10.11943/CJEM2025009
Abstract:To explore the application of in-situ spectroscopy for monitoring the curing reaction of energetic materials by using toluene diisocyanate (TDI) as curing agent, both in-situ Raman and infrared (IR) spectroscopy were employed to study the spectral changes before and after the curing reaction of 3,3-bis(azidomethyl)oxetane-tetrahydrofuran co-polyether (PBT)-TDI system. The Raman bands suitable for quantitative monitoring of the curing process were analyzed, and the results were evaluated. The vibrational modes of the Raman bands of reactants and products were identified using the density functional theory (DFT) method. The correlation between the curing reaction results obtained from IR and Raman spectroscopy was also discussed. Results show that the peak of 1534 cm-1 in Raman spectroscopy of the PBT-TDI system exhibits a low signal-to-noise ratio, making it unsuitable for quantitative analysis. The reaction degree calculated from the peak of 1743 cm-1 in Raman spectroscopy is significantly higher than that derived from the peak of 2269 cm-1 in IR spectroscopy. The peak of 1505 cm-1 in Raman spectroscopy is associated with the stretching vibration of the isocyanate (NCO) group. The difference in the degree of reaction between Raman and IR is due to the number of individual NCO groups in the TDI molecules that participate in the reaction. The two methods play complementary roles in monitoring the curing process.
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LI Huan, ZHOU Qi, HOU Tian-jiao, WANG Gui-xiang, LUO Jun
Online:March 13, 2025 DOI: 10.11943/CJEM2025012
Abstract:A novel cage-like energetic compound, 4,4,8,8-tetranitro-2,6-dioxaadamantane, was synthesized via four steps involving oxidative cyclization, oxidation, oximation and gem-dinitration by using 9-oxabicyclo[3.3.1]nona-2,6-diene as raw material. Its structure was characterized by nuclear magnetic resonance(NMR), Fourier transform infrared spectroscopy (FT‐IR) and elemental analysis (EA), and single crystal X-ray diffraction (SC-XRD)was adopted to further confirm its crystal structure. The thermal stability was investigated by differential scanning calorimetry‐thermogravimetry(DSC‐TG)analysis, and detonation parameters were predicted by EXPLO5. Results show that 4,4,8,8-tetranitro-2,6-dioxaadamantane has a crystal density of 1.75 g·cm-3 and belongs to monoclinic system, space groups P21/c. Its thermal decomposition temperature is 190.6 ℃, theoretical detonation velocity is 7705 m·s-1, and detonation pressure is 25.75 GPa.
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WU Jun-ying, WANG Jian-yu, LIU Xin-hang, HU Liang, SHANG Yi-ping, LIU Dan-yang, Chen Lang
Online:March 13, 2025 DOI: 10.11943/CJEM2024290
Abstract:Boron powder is often used as a combustible agent in energetic materials due to its high calorific value, volume calorific value and clean combustion products. However, the surface oxide layer of boron powder makes it difficult to ignite and brings low combustion efficiency. In order to improve the ignition and combustion performances, boron powder was wetly milled in hot acetonitrile to remove the surface oxide layer for obtaining pre-treated boron powder with high activity, according to the good solubility of boron oxide in acetonitrile solvent. Acetonitrile and n-hexane were used as a dual control agent, and then the pretreated boron powder and highly active aluminum were performed a secondary ball milling to finally prepare the boron-aluminum composite powder with surface-activated boron. The morphological characteristics, thermogravimetric, ignition and combustion characteristics of boron and composite powder were studied. The results showed that the content of surface boron oxide of boron powder was reduced after pretreatment with acetonitrile, pretreatment boron powder was easier to react with oxygen when heated in air, and the percentage of mass increase was 25.6% more than that of untreated boron powder. After pretreatment with hot acetonitrile, the surface boron oxide content decreased, the active boron content increased, and the ignition and combustion performances were significantly improved. The mass of composite powder with boron-aluminum mass ratio of 60/40 increased by 93% when heated in air, the ignition temperature was 738.1 ℃ at low heating rate, and the particle combustion time was 11.2 ms.
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WANG Jia-wei, SHI Hong-bin, LIU Xuan-jie, SONG Shi-xiong, SHI Jia-wei, WANG Qi-hu
Online:January 03, 2025 DOI: 10.11943/CJEM2024210
Abstract:The process parameters have a direct impact on the 3D printing quality of solid propellant grains. To more reasonably adjust the 3D printing process parameters and improve printing quality, based on the single-layer stacking process, a numerical simulation method was employed to conduct an orthogonal experimental study on three influencing factors: extrusion speed, printing height, and printing temperature. The degree of influence of each factor was calculated through variance and range analysis. The grey relational analysis method was adopted for comparison, and the optimal combination of process parameters was selected after comprehensively considering the printing accuracy of special points. A method for calculating the printing line spacing based on single-line cross-sectional data was proposed for the first time, and simulation and experimental verification were conducted. The results indicated that the extrusion speed had the greatest impact on printing quality. When the extrusion speed was set to 12 mm·s-1, the nozzle height was 1.2 mm, and the printing temperature was 55 ℃, the printed part exhibited optimal quality. After parameter adjustment, the tensile strength of the specimen increased from 0.21 MPa to 0.43 MPa, and the density rose from 1.43×103 kg·m-3 to 1.65×103 kg·m-3. Single-layer printing simulations and experiments demonstrated a significant improvement in molding quality after parameter adjustment.
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WU Cheng-cheng, SUN Sen, LI Shi-wei, GUO Xue-yong
Online:December 27, 2024 DOI: 10.11943/CJEM2024230
Abstract:In order to investigate the reaction characteristics of oxidizer-fuel composite materials with different particle sizes in constant-volume combustion, laser ignition and detonation environment of high energy explosive hexanitrohexaazaisowurtzitane (CL-20), three particle sizes of perfluoropolyether-functionalized micro/nano aluminum (nAl_150@xPEPE, μAl_1@xPEPE and μAl_5@xPEPE, where x=2.5%, 5.0%, 7.5%) was constructed by particle suspension method, and CL-20 based aluminized explosive was prepared by kneading granulation method. The pressure-time curve, laser-induced ignition process, energy release rate and efficiency of samples in CL-20 were studied by means of closed constant-volume explosive device, laser ignition, detonation velocity and detonation heat test equipment, respectively. The results showed that with the increase of PFPE mass fraction, the peak pressure and pressurization rate of nAl_150@xPEPE samples and μAl_1@xPEPE samples increased gradually, while the peak pressure of μAl_1@7.5%PEPE sample reached 4138.4 kPa and its pressurization rate reached 0.216 MPa·ms-1. However, when the PFPE mass fraction exceeded 5.0%, the pressurization rate seemed to slow down. At the same time, with the increase of PFPE mass fraction, the burning rate of PFPE-functionalized micro/nano aluminum in CL-20 increased gradually. When x=7.5%, the burning rate of all the three samples with different particle sizes in CL-20 increased by 2.1 cm·s-1, 1.8 cm·s-1 and 2.3 cm·s-1, respectively. In addition, four kinds of fuel-rich CL-20 based aluminized explosives were designed. Among them, the measured detonation velocity of JWL-3 explosive (62% CL-20/32% μAl_1@5.0%PEPE/6% binder) was 8125 m·s-1, the measured detonation heat was 8049.8 kJ·kg-1, and the energy release efficiency reached 86.10% (measured by detonation heat).
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ZHANG Tong-wei, XU Yuan-gang, LU Ming
Online:December 12, 2024 DOI: 10.11943/CJEM2024239
Abstract:A novel high-energy compound, 6-Amino-4-(trinitromethyl)-2-carbonyl-1H-1,3,5-triazine, was synthesized in one step. The crystal structure of this compound was characterized by X-ray single crystal diffraction. Its structure and properties were characterized by 1H and 13C NMR, FT-IR and DSC. The detonation performance was calculated by EXPLO5. The sensitivity testing was performed according to the BAM standard method.The compound crystallizes in orthorhombic space group C 2/c, a=10.183(4) ?, b=9.388(3) ?, c=21.324(8) ?, V=2005.9(13) ?3, α=90°, β=100.246(10)°, γ=90°, Z=8. The calculated detonation velocity and pressure for compound
1 are 8167 m·s-1 and 27.6 GPa, respectively, with measured impact sensitivity of 6 J and friction sensitivity of 210 N. -
LIU Shu-liang, CAI Tao, ZHANG Li-nan, QI Yuan, MA Hui-chao, LIN Qiu-han
Online:November 27, 2024 DOI: 10.11943/CJEM2024229
Abstract:To study the thermal decomposition behavior of 2,2-azobi[4,5-bis(tetrazole-5-yl)]-1,2,3-triazole (NL24), the structure, morphology and thermal decomposition characteristics of NL24 were studied by means of scanning electron microscopy, thermogravimetric analyzer, differential scanning calorimeter and thermogravimetric infrared mass spectrometry. The kinetic parameters such as apparent activation energy and pre-exponential factor were calculated by Kissinger, Ozawa and ?atava-?esták method, and the thermal decomposition mechanism of NL24 was speculated. Results show that NL24 has two main weight loss stages at the heating rate of 10 ℃·min-1 . The first weight loss stage occurs at about 180 ℃, which belongs to the volatile endothermal process of dimethyl sulfoxide. The violent thermal decomposition of NL24 occurs at the second weight loss stage between 270 ℃ and 300 ℃, which has not only rapid gas generation rate, but also belongs to autocatalytic reaction. The main gaseous products are N2, HCN, HN3, etc. The apparent activation energy and pre-exponential factor of the decomposition process are 174.69 kJ·mol-1 and 1016.60 s-1 , respectively. The reaction model of thermal decomposition stage of NL24 is random nucleation and subsequent growth.
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ZHANG Rong-zheng, LU Ming, XU Yuan-gang
Online:November 21, 2024 DOI: 10.11943/CJEM2024211
Abstract:A pyridine energetic molecule, N2,N6-dimethyl-N2,N4,N6,3,5-pentanitro-2,4,6-pyridinetriamine (NNDP), has been synthesized in two steps from 4-amino-2,6-dichloropyridine. The process was found to be effective and simple. The structure of this compound is characterized by 1H and 13C NMR, FT-IR and DSC. The crystal structure of this compound is characterized by X-ray single crystal diffraction. Results shows that compound NNDP belongs to the monoclinic space group P 21/c, a=16.3215(17) ?, b=7.9819(8) ?, c=13.1954(13) ?, V=1712.3(3) ?3, α=90(6)o, β=95.093(3)o, γ=90(7)o, Z=4. The presence of multiple nitro and nitramine groups contributes to a low decomposition temperature. Its detonation performance was predicted using EXPLO5, and sensitivity testing was conducted using the BAM standard method.It was found that the detonation performance and impact sensitivity of NNDP(D=8762 m·s-1, p=34.5 GPa, IS=7.7 J) are comparable to those of RDX.
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JIANG Shuai-jie, ZHANG Guang-yuan, XU Yuan-gang, WANG Peng-cheng, LU Ming
Online:November 13, 2024 DOI: 10.11943/CJEM2024205
Abstract:To understand the properties of the novel polynitrogen compound hexazine anion [N6]4-, computational chemical methods were used to study the electronic structure, bonding properties and aromaticity of N6, [N6]2- and [N6]4-. The M06-2X method combined with the def2-TZVP basis set was used to optimized the structures and calculated the electronic structure features, such as bond length, bond angle, dihedral angle, molecular size and so on. Subsequently, multiple bond orders were calculated, using the atoms-in-molecules (AIM) theory to calculate multiple bond properties, and drawing the electron deformation density map to directly show the bond behavior. Finally, various aromatic indices were calculated to show the aromatic characteristics of three hexazine rings. The calculation results show that by comparing with the electronic structure optimized by CCSD, the M06-2X method in the common DFT method is suitable for studying the current system. Mayer bond order shows that the N—N bond has a certain degree of σ bond characteristics. The aromaticity study shows that the[N6]4- is aromatic, with the aromatic harmonic oscillator model (HOMA) value at 0.96 and the nuclear independent chemical shift (NICSZZ(1)) at -18.97 ppm. The IR, Raman and UV-Visible spectra of [N6]4- were simulated to provide reference for experimental detection.
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WANG Xian-feng, YANG Feng, XU Yuan-gang, LU Ming
Online:September 18, 2024 DOI: 10.11943/CJEM2024224
Abstract:To further balance the energy and safety of 5-nitro-3-(trinitromethyl)-1H-1,2,4-triazole, four nitrogen-rich energetic ionic salts were synthesized using 2-(5-amino-1H-1,2,4-triazole-3-yl) acetic acid as a starting material through a silver salt substitution reaction. The structures of all new compounds were characterized using nuclear magnetic resonance, Fourier transform infrared spectroscopy, differential scanning calorimetry, thermogravimetric analysis, and single crystal X-ray diffraction. The results indicate that the ammonium salt, hydrazine salt, and guanidine salt of 5-nitro-3-(trinitromethyl)-1H-1,2,4-triazole exhibit higher initial decomposition temperature than that of the precursor. Moreover, the hydrazine salt and guanidine salt belong to the different crystal systems with distinct crystal packing arrangements and densities. However, they share consistent characteristics in terms of intermolecular weak interactions, with the H…O interaction being the predominant contributor. With the decreasing of the ratios of N…O and O…O interactions, the sensitivity of the nitrogen-rich energetic ionic salts to mechanical stimuli decreases. Finally, the analysis of the distribution of molecular electrostatic potential supplements the explanation for the change in impact sensitivity of 5-nitro-3-(trinitromethyl)-1H-1,2,4-triazole after salt formation. Among the four ionic compounds, the hydrazine salt exhibits outstanding detonation performance (D=8634 m·s-1, p=30.2 GPa, Isp=263.5 s) with relative high sensitivity. In contrast, the triaminoguanidine salt demonstrates excellent overall performance. It has a detonation velocity comparable to that of the hydrazine salt (D=8627 m·s-1), a heat of formation nearly 1.4 times greater than that of the precursor (ΔHf=0.644 kJ·g-1), and a low mechanical sensitivity (IS=10.3 J, FS=150 N).
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GU Lin-lin, XU Yong-hang, ZHU Huang-hao, WANG Zhen
2025,33(3):213-224, DOI: 10.11943/CJEM2024155
Abstract:In order to explore the propagation patterns and characteristics of methane vapor cloud combustion waves in tunnels, the CE/SE (space-time conservation element and solution element) method in LS-DYNA software was employed to establish a pre-mixed explosion model of methane and air in the tunnel, which was validated through experimental data. In this paper, typical combustion waveforms of methane vapor cloud with a concentration 9.5% in different test positions were demonstrated by numerical simulation. The propagation and evolution law of overpressure and temperature was analyzed. The injury effects of overpressure and thermal radiation on human in tunnel were investigated. It was revealed that the combustion pressure wave along the tunnel can be divided into four stages: free expansion, reflection dissipation, wall acceleration, and Mach propagation. The pressure variation presented three characteristics: wall impact rise, reflective decay, and stable propagation. The pressure wave presented a sort of periodical reflection propagation mode radially, while the intensity was declining according to the consumption of methane. The temperature field evolved symmetrically from the ignition point to the tunnel entrance and the peak temperature decayed rapidly along the path. The temperature field radiated from the ignition point to the bottom of the tunnel, leading to a gradual convergence of in a certain section and decreased slowly over time. For the injury effects caused by a combination of combustion overpressure and thermal radiation, the fatal distance was 13.51m, the severe injury distance was 13.51-23.51 m, the moderate injury distance was 23.51-160 m while the concentration of methane vapor cloud was 5%. For the methane vapor cloud with a concentration 6.5%, those distances were 16.46 m, 16.46-45.36 m and 45.36-160 m respectively. As for a concentration 9.5%, the fetal distance was 20.58m and the severe injury distance was 20.58-160 m.
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MEI Liang, GUO Jin, HUANG Shi-kai, WANG Jin-gui
2025,33(3):225-235, DOI: 10.11943/CJEM2024186
Abstract:In order to guide the application of hydrogen/methane mixture as fuel, explosion experiments were carried out using a cylindrical closed vessel with an inner diameter and length of 300 mm. The effects of hydrogen fraction (XH2) from 0 to 100% and equivalence ratio (Φ) from 0.6 to 1.4 on the flame evolution and explosion pressure were investigated. Meanwhile, CHEMKIN software was introduced to analyze the laminar burning velocity and sensitivity coefficient of the H2-CH4-air premixed gas. The results showed that, for a certain Φ, the maximum explosion pressure (pmax), the maximum pressure rise rate ((dp/dt)max), the explosion index (KG), and the laminar burning velocity increased monotonically with the increase of XH2. The duration to reach pmax and (dp/dt)max , named tA and tB, respectively, decreased gradually. After ignition, the flame surface gradually transformed from a smooth structure to a honeycomb flame lattice structure. With a constant Φ and an increasing XH2, the duration from ignition to the termination of the explosion decreased dramatically. Meanwhile, at the same moment the flame radius increased but the fold on the flame surface increased. The simulation results showed that the elementary reactions R35 and R52 had the most significant influence on the laminar burning velocity. The maximum molar fractions of the key radicals (H, O, and OH) had a positive correlation with the laminar burning velocity, and the increase of XH2 lead to a significant increase in the maximum molar fractions of the key radicals. The primitive reactions R38 and R84 were the dominant reactions affecting the rate of production (ROP) of key radicals.
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ZHOU Meng, LIANG Min-zu, CHEN Rong, LIN Yu-liang, ZHANG Yu-wu
2025,33(3):236-245, DOI: 10.11943/CJEM2024175
Abstract:To effectively mitigate the combined impulsive and fragmentary loads exerted by near-field explosion, a multi-layer composite protective structure has been developed, incorporating an anti-penetration layer, a coordinated support layer, and a cushioning energy-absorption layer. A finite element analysis model was established and validated through near-field explosion experiment. Utilizing the outcomes of finite element simulations, a response surface approximation model for the composite protective structure was constructed. With the areal density and overall thickness of the composite protective structure as the optimization targets, a multi-objective optimization of the thickness distribution was conducted under the individual and combined effects of fragments and shock waves using the Non-dominated Sorting Genetic Algorithm II (NSGA-II). And the Pareto optimal solution set was obtained. The findings demonstrate that, in comparison to the initial design, the areal density of the optimized composite protective structure subjected to the individual action of fragments can be decreased by up to 19.2%, with a maximum thickness reduction of 10.0%. Under the individual action of shock waves, the areal density can be reduced by up to 34.9%, and the thickness by up to 27.5%. Under the combined action of shock waves and fragments, the areal density can be reduced by up to 19.2%, and the thickness by up to 10.0%. For application scenarios where the thickness is constrained to no more than 40 mm, the optimized composite protective structure exhibits an approximately 17.5% reduction in areal density and a 9.1% reduction in total thickness compared to the initial design. It was noted that the Pareto optimal solution sets obtained from the individual fragment action and the combined action are nearly identical, indicating that the composite protective structure significantly diminishes the influence of shock waves on the subsequent fragment impact, thereby effectively mitigating the combined effects of shock waves and fragments.
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CHENG Zhi-peng, XIA Yu, LUO Yi-min, MA Teng, XU Fei-yang, ZHANG Yu, WU Xing-liang, XU Sen
2025,33(3):246-255, DOI: 10.11943/CJEM2024100
Abstract:To investigate the combustion characteristics of ternary active metal fuels Al/B/Mg (ABM) and Al/B/MgH2 (ABM-H), the heat of combustion and minimum ignition energy were studied by using an oxygen bomb calorimeter and a Hartmann tube, respectively. The sub-transient process of flame propagation and the spatiotemporal distribution characteristics of temperature fields were determined by using a high-speed camera system and a high-speed infrared camera system. The results indicate that the calorific values of ABM and ABM-H are 34.1 and 32.2 MJ·kg-1, respectively, exhibiting increases of 14.4% and 8.1% over pure Al (29.8 MJ·kg-1). The minimum ignition energies of ABM, ABM-H, and Al are 160-170, 100-110, and 20-30 mJ, respectively. Compared to pure Al, the combustion duration of ABM and ABM-H increase by 65.5%, 34.5% and the peak flame propagation velocities increase by 12.6%, 23.0%, respectively, at a mass concentration of 625 g·m-3. At a mass concentration of 500 g·m-3, ABM-H and ABM exhibit the largest peak flame propagation velocities by 45.05, 38.7 m·s-1, and the maximum temperatures peak of flame surface by 1856, 1717 ℃, respectively, where ABM-H shows a 7.6% improvement on temperatures peak of flame surface and a faster heating-rate compared to ABM. It suggests that the ABM and ABM-H formulations significantly reduce the explosion risk of the dust/air mixture, and significantly improving the combustion performance. ABM demonstrates superior thermal effects in calorific value and duration of combustion, whereas ABM-H exhibits higher reactivity in terms of minimum ignition energy, flame propagation speed, and temperature rise rate.
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LIU Hai-qing, XIANG Shu-jie, FANG Pu-yixing, LI Chun-tian, SHEN Rui-qi, ZHANG Wei
2025,33(3):256-265, DOI: 10.11943/CJEM2024101
Abstract:Nitrogen-containing compounds, acting as nitrogen donors, directly influence the types of high nitrogen compounds formed under laser irradiation. To understand the impact of various nitrogen-containing compounds on the formation of high-nitrogen compounds, three representative compounds NaN3, Si3N4 and P3N5 were ablated using a pulsed Nd: YAG laser in a nitrogen atmosphere. The plasma characteristics and the evolution of the transient intermediates generated by laser sputtering were investigated by transient spectrometer. The findings indicate that the laser ablation of NaN3 yields the highest number of nitrogen atoms (NⅠ), monovalent nitrogen ions (NⅡ), and trivalent nitrogen ions (NⅢ), with the longest duration of nitrogen plasma. The lifetimes of NⅠ, NⅡ, and NⅢ reached 39,400 ns, 39,400 ns, and 19,450 ns, respectively. Among the three nitrogen donors, the laser ablation of NaN3 in a nitrogen atmosphere is most likely to result in the formation of high-nitrogen or all-nitrogen compounds.
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YOU Jia-jun, WANG Bing, XIONG Ying, WANG Jian
2025,33(3):266-276, DOI: 10.11943/CJEM2024092
Abstract:The pilot-scale energetic material wastewater is a kind of wastewater which is extremely difficult to degrade, containing high concentrations of various nitrogen-containing compounds, such as ammonia nitrogen (NH3─N), nitrite (NO2-), nitrate (NO3-), and other organic pollutants . To realize the efficient and directional removal of these nitrogen-containing compounds, boron-doped diamond (BDD) electrodes were prepared by the hot-filament chemical vapor deposition (HFCVD) method and utilized to degrade the wastewater. The effects of electrolyte composition and concentration, modified electrode type, and electrolysis device structure on the degradation efficiency were investigated. It demonstrated that adding 0.1 M sodium chloride (NaCl) electrolyte to energetic material wastewater could improve the selectivity of NH3─N direct conversion to nitrogen (N2). Using Cu/BDD and Ni/BDD cathodes accelerate the conversion process of high-valent nitrogen to NH3─N. Under the dual electrolysis cell structure system, employing Cu/BDD and Ni/BDD electrodes as anodes improve the degradation rate of NH3─N conversion to N2. Therefore, the approach utilizes metal-modified BDD electrodes as anodes, is expected to be a highly effective method in the rapid and selective degradation of energy material wastewater, especially when using 0.1 M NaCl as electrolyte.
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GONG Xue-ling, GUAN Jian, LIU Hong-ni, MO Hong-chang, ZHANG Qing-yuan, PENG Ru-fang, JIN Bo
2025,33(3):277-283, DOI: 10.11943/CJEM2024157
Abstract:The initial isothermal aging behavior of poly (3-nitratomethyl-3-methyloxetane) (PNIMMO) was studied. The aging kinetic parameters and thermal aging mechanism of PNIMMO at 100-120 ℃ were investigated using an isothermal gas measuring device. The storage life of PNIMMO was determined by the Berthelot equation. The results indicate that the activation energy (Ea) is 156.42 kJ·mol-1 and the logarithm of the pre-exponential factor (lgA) is 16.86 s-1 when the aging depth of PNIMMO reaches 0.1%. Conversely, at an aging depth of 0.5%, Ea is measured at 156.05 kJ·mol-1 and lgA at 16.03 s-1, as derived from the Arrhenius equation. According to the mode matching method, the thermal aging of PNIMMO at 100-120 ℃ conforms to the mechanism function No.28, that is, the reaction order n=1/4, Ea=154.33 kJ·mol-1. Using an aging depth of 0.1% as the evaluation criterion, PNIMMO can be stored at room temperature for 51.6 years. During the initial phase of thermal decomposition, the side chain ─O─NO2 bond undergoes cleavage followed by hydrogenation, subsequently leading to gradual degradation of the main chain into stable polyaromatic compounds.
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LIANG Lin, WANG Ya-jun, GAN Qiang, ZHANG Wen-bo, REN Shu, LI Gen, FENG Chang-gen
2025,33(3):284-294, DOI: 10.11943/CJEM2024121
Abstract:To investigate the anisotropy of impact sensitivity of the cage-like energetic material hexanitrohexaazaisowurtzitane (ε-CL-20),this work used the ReaxFF-lg reactive force field and molecular dynamics method, multiscale impact loading simulations were performed on six typical crystallographic planes: (0 1 0), (1 1 0), (2 0
), (0 1 1), (1 1 ), and (0 0 1). The correlation between stress, temperature, chemical reactions, and the direction of impact was analyzed. Results indicate a pronounced anisotropy in the impact sensitivity of ε-CL-20, with the sensitivity ranking of the planes as (0 1 0)>(1 1 0)>(2 0 )≈(0 1 1)>(1 1 )>(0 0 1). The system exhibits the strongest thermo-mechanical and chemical responses when impacted perpendicular to the (0 1 0) plane, implying the highest sensitivity. In contrast, the weakest responses and lowest sensitivity occurs when impacted perpendicular to the (0 0 1) plane. Based on these findings, for planar layered energetic materials, impacts parallel to the molecular layers yield the highest sensitivity, while the impacts perpendicular to the molecular layer opposite result in low sensitivity. - 1
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2025,33(3):295-303, DOI: 10.11943/CJEM2024184
Abstract:Using a dynamic laser monitoring technique, the solubility of 3-nitro-l,2,4-triazole-5-one (NTO) was investigated in two different binary systems, namely hydroxylamine nitrate (HAN)-water and boric acid (HB)-water ranging from 278.15 K to 318.15 K. The solubility in each system was found to be positively correlated with temperature. Furthermore, solubility data were analyzed using four equations: the modified Apelblat equation, Van’t Hoff equation, λh equation and CNIBS/R-K equations, and they provided satisfactory results for both two systems. The average root-mean-square deviation (105RMSD) values for these models were less than 13.93. Calculations utilizing the Van’t Hoff equation and Gibbs equations facilitated the derivation of apparent thermodynamic properties of NTO dissolution in the two systems, including values for Gibbs free energy, enthalpy and entropy. The %ζH is larger than %ζTS, and all the %ζH data are ≥58.63%, indicating that the enthalpy make a greater contribution than entropy to the ΔGsolnΘ.
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SONG Shi-xiong, REN Quan-bin, WANG Jia-wei, PANG Ai-min, TANG Min
2025,33(3):304-315, DOI: 10.11943/CJEM2024129
Abstract:3D printing technology has the characteristics of customization, mold free, and flexibility, which can provide an effective approach for the shaping of special structure solid propellant grains in multi-thrust or multi -pulse solid rocket motors. At present, research on 3D printing of solid propellant grain has been conducted both domestically and internationally. This article focuses on the application of typical 3D printing processes such as binder jetting, photopolymerization curing, and material extrusion in the formation of heterogeneous solid propellant grains with contained complex structures, gradients, and multi material integration. It summarizes the key issues that exist in the 3D printing of these three types of solid propellant grains. The future research directions were prospected, and it was emphasized that the future manufacturing of heterogeneous solid propellant grains should focus on low sensitivity specialized solid propellant slurries, printing equipment for large grain forming, and insulation coating printing technology.
Vol, 33, No.3, 2025
>Explosion and Damage
>Preparation and Property
>Analysis and Testing
>Calculation and Simulation
>Reviews
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Propellant
2021-2023 Collection
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Gun Propellant
2021-2023 Collection
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Safety and damage study
2021-2023 Collection
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Initiator and Pyrotechnics
2021-2023 Collection
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Preparation and Property
2021-2023 Collection
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Crystal and microscopic analysis
2020-2022 发表
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Chemical Propellant
2021-2022 Collection
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Eco-friendly technology
2021-2022 Collection
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Initiating explosive device technology
2021-2022 Collection
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Damage and ignition
2021-2022 Collection
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Thermal decomposition,safety performance and evaluation
2021-2022 Collection
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Preparation and performance—Characterization of molding materials
2021-2022 Collection
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Preparation and performance—Characterization of synthesis
2021-2022 Collection
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Preparation and performance—Study on synthesis and performance
2021-2022 Collection
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Explosion and damage
2021-2022 Collection
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Detonation physics of energetic materials
2021-2022 Collection
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High efficiency destruction technology
2021-2022 Collection
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Propulsion and projection—Propulsion Materials structure and activity relationship
2021-2022 Collection
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Propulsion and projection—Preparation and performance about propulsion materials
2021-2022 Collection
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Calculation and simulation—Material structure and response
2021-2022 Collection
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Calculation and simulation—Structural evolution of materials
2021-2022 Collection
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Calculation and simulation—Material performance prediction
2021-2022 Collection
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