• New Synthesis Process of DNTF

  SANG Liang, YE Zi-hong, LU Ming, XU Yuan-gang

  Online:April 30, 2025  DOI: 10.11943/CJEM2025018

  Abstract(2) HTML(46) PDF(1.68 M)( 13)

  Abstract:To improve the safety and reduce the toxicity of the synthesis process for 3，4-bis（4-nitro-1，2，5-oxadiazol-3-yl）-1，2，5-oxadiazole-2-oxide （DNTF）， a four-step route was developed starting from 1，3-acetonedicarboxylic acid， involving oximation， cyclization， oxidation， and nitration. The synthesis employed two critical intermediates： 3-amino-4-（carboxymethyl）furazan （formed after cyclization） and 3-nitro-4-（carboxymethyl）furazan （generated during nitration）. The process achieved an overall yield of 22% with the final product purity exceeding 98%. The structures of key intermediates and products were characterized by single-crystal X-ray diffraction， nuclear magnetic resonance， and infrared spectroscopy. The optimal synthesis process was determined through single-factor experiments， with an oxidation reaction yield of 97% and a nitration reaction yield of 56.5%. The process safety risks of oxidation and nitration reactions were studied by DSC， ARC， and RC1. The results showed that the oxidation reaction process had a high hazard level， while the nitration reaction process was classified as level 2. This synthesis route has promising potential for industrial-scale application.

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• Review on Synthesis of High-energy Heat-resistant Compounds

  FU Hui, SHAN Yu-jia, TIAN Tian, WANG Jin-xin, WANG Tao, ZHANG Wen-quan

  Online:April 29, 2025  DOI: 10.11943/CJEM2025006

  Abstract(10) HTML(50) PDF(1.80 M)( 34)

  Abstract:According to the connection mode of molecules and whether the molecule is neutral， the high-energy heat-resistant compounds reported in recent years are divided into three categories： fused ring， linked heterocyclic and ionic. The structural characteristics， synthesis methods， physicochemical properties and detonation performances of three kinds of high-energy heat-resistant compounds are reviewed. and the application prospects are evaluated. The development direction of the synthesis of high-energy heat-resistant compound is prospected： developing universal construction technology of skeleton， promoting the integration of computational simulation and molecular design， and innovating green and efficient synthesis process. It provides a reference for the design and synthesis of new high-energy heat-resistant compounds.

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• Analysis of Interior Ballistic Performance and Launch Overload of Image Terminal Guided Projectiles

  CAI Can-wei, NING Quan-li, DENG Hai-fei, ZHANG Zhi-wen, LIU Li-wen

  Online:April 29, 2025  DOI: 10.11943/CJEM2025023

  Abstract(6) HTML(22) PDF(1.95 M)( 22)

  Abstract:To accurately analyze the interior ballistic performance and launch overload of image terminal guided projectiles， the connotative essence of the firing with different charge numbers was investigated based on the characteristics and working principles of the adaptive launch platform and launch charge. The interior ballistic two-phase flow model for image terminal guided projectile was established， and its rationality was verified through simulations and measured data under two different working conditions. Building on this， the evolution laws of pressure fluctuation and projectile motion in the bore of a certain type of image terminal guided projectile with different charge numbers were analyzed using the verified interior ballistic two-phase flow model. Furthermore， the launch overload characteristics of this type of image terminal guided projectile with different charge numbers were studied through the established engineering calculation model of launch overload. The results show that the relative errors of the maximum pressure at the bottom of the bore and the initial velocity of the projectile between two verification conditions are less than 2%， and the variation laws of the pressure at the bottom of the bore and the pressure wave in the bore with time are highly consistent between simulation and measurement. The internal ballistic performance and launch overload variation laws of the image terminal guided projectile with different charges obtained from the verified model are consistent with the general laws of the actual launching process. The relevant research results can offer reference for the overload proof design and optimization， and failure mechanism analysis of image terminal-guided projectiles， and for the development and application of other related equipments.

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• Review on N─NO₂ Type Nitrogen-Rich Energetic Compounds Based on Nitration of Heterocyclic NH Groups

  XUE Meng-xin, HU Lu

  Online:April 29, 2025  DOI: 10.11943/CJEM2025026

  Abstract(11) HTML(30) PDF(3.03 M)( 29)

  Abstract:As a typical energetic substituent， N─NO₂ group exhibits high work capacity and is fundamental to the energy release of typical explosives such as RDX， HMX， and CL-20. Nitrogen-rich heterocyclic energetic compounds have garnered extensive research interest due to their high enthalpy of formation， high density， and environmental compatibility. However， the introduction of N─NO₂ is significant challenging due to the varying electrophilic reactivity of the NH sites in nitrogen-rich frameworks and the metastable structures of the energetic molecules. Therefore， summarizing the synthesis reactions and properties of various nitrogen-rich frameworks containing N─NO₂ is of great importance for the development of novel energetic materials with practical applications. This review categorizes nitrogen-rich energetic frameworks and summarizes the synthesis and properties of N─NO₂ in imidazole， pyrazole， triazole， and six-membered nitrogen-rich energetic heterocyclic compounds. The future development potential and research trend of nitrogen-rich energetic compounds with N─NO₂ nitration of heterocyclic NH groups are also prospected， so as to provide a valuable reference and guidance for the skeleton design， multi-functional group synergistic effect and synthesis of new N─NO₂ based energetic materials.

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• Synthesis， Crystal Structure and Properties of 5，7-Diamino-8-nitrotetrazolo［1，5-c］pyrimidine

  ZHANG Ai-ya, HU Jun-biao, HUANG Wei, LIU Yu-ji, TANG Yong-xing

  Online:April 14, 2025  DOI: 10.11943/CJEM2025034

  Abstract(55) HTML(112) PDF(980.96 K)( 113)

  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 of 3 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 of 3 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 compound 3·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 of 3 are 8570 m·s^-1 and 28.2 GPa， respectively. The impact and friction sensitivities of 3 are 22 J and 305 N， respectively.

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• Electrochemical Synthesis and Properties of Tetrazole-1，3，4-oxadiazole azo Energetic Compounds

  QIN Ya-qi, ZHANG Guang-yuan, LU Ming, WANG Peng-cheng

  Online:April 10, 2025  DOI: 10.11943/CJEM2025029

  Abstract(68) HTML(152) PDF(2.21 M)( 228)

  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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• Simulation Study on the Impact of Pressing Process Parameters on Irregular-Shaped Charges

  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(58) HTML(164) PDF(2.52 M)( 213)

  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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• Synthesis and Properties of a New Pyrazolo-triazine-based Energetic K-MOF

  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(40) HTML(128) PDF(1.38 M)( 192)

  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. Compound 4 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 compound 4 were tested according to BAM standard. The detonation performance of compound 4 was predicted by EXPLO 5 software based on isodesmic reaction. Results show that the crystal of compound 4 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. Compound 4 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.

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• Influence of PVDF Content on the Combustion Performances of Aluminum-Based Solid Propellants

  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(57) HTML(228) PDF(7.32 M)( 277)

  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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• In-Situ Raman Spectroscopic Studies and Density Functional Theory Calculations of the TDI Curing Reaction

  HONG Tian-jiao, KANG Yan, TIAN Peng-fei, XUAN Fu-zhen

  Online:March 25, 2025  DOI: 10.11943/CJEM2025009

  Abstract(40) HTML(128) PDF(1.41 M)( 220)

  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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• Synthesis and Characterization of 4，4，8，8-Tetranitro-2，6-dioxaadamantane

  LI Huan, ZHOU Qi, HOU Tian-jiao, WANG Gui-xiang, LUO Jun

  Online:March 13, 2025  DOI: 10.11943/CJEM2025012

  Abstract(94) HTML(178) PDF(1.38 M)( 266)

  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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• Preparation and properties of surface-modified boron and its composite powder

  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(109) HTML(208) PDF(1.77 M)( 297)

  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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• e-mail：luming@njust.edu.cn Developing Energetic Materials with High Hydrogen Content， Nitrogen Rich and High Enthalpy of Formation

  LU Ming, YANG Feng, WANG Xian-feng

  Online:January 20, 2025  DOI: 10.11943/CJEM2024272

  Abstract(202) HTML(218) PDF(531.46 K)( 557)

  Abstract:

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• Synthesis and Properties of 6-Amino-4-（trinitromethyl）-2-carbonyl-1H-1，3，5-triazine

  ZHANG Tong-wei, XU Yuan-gang, LU Ming

  Online:December 12, 2024  DOI: 10.11943/CJEM2024239

  Abstract(224) HTML(230) PDF(1.41 M)( 664)

  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.

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• Thermal Behavior and Decomposition Mechanism of 2，2-Azobi［4，5-bis （tetrazole-5-yl）］-1，2，3-triazole

  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(182) HTML(224) PDF(1.93 M)( 556)

  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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• Synthesis and Properties of N²，N⁶-Dimethyl-N²，N⁴，N⁶，3，5-Pentanitro-2，4，6-Pyridinetriamine

  ZHANG Rong-zheng, LU Ming, XU Yuan-gang

  Online:November 21, 2024  DOI: 10.11943/CJEM2024211

  Abstract(166) HTML(166) PDF(1.56 M)( 540)

  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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• Theoretical Study of the Electronic Structure， Bonding properties and Aromaticity of Hexazine Anion ［N₆］^4-

  JIANG Shuai-jie, ZHANG Guang-yuan, XU Yuan-gang, WANG Peng-cheng, LU Ming

  Online:November 13, 2024  DOI: 10.11943/CJEM2024205

  Abstract(131) HTML(156) PDF(1.86 M)( 497)

  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 （NICS_ZZ（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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• Synthesis and Performance of 5-Nitro-3-（trinitromethyl）-1H-1，2，4- triazole Nitrogen-Rich Energetic Ionic Salts

  WANG Xian-feng, YANG Feng, XU Yuan-gang, LU Ming

  Online:September 18, 2024  DOI: 10.11943/CJEM2024224

  Abstract(269) HTML(130) PDF(2.31 M)( 708)

  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， I_sp=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 （ΔH_f=0.644 kJ·g^-1）， and a low mechanical sensitivity （IS=10.3 J， FS=150 N）.

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Vol, 33, No.4, 2025    

>Preparation and Property

• A Simple Synthesis Method of 1-Methyl-3，4，5-trinitropyrazole（MTNP）

  ZHANG Li, ZOU Jia, CHEN Zheng-guo, YU Si-jia, LI Hao-ran, SHI Hai-chuan, HUANG Ming, YANG Hai-jun

  2025,33(4):317-323, DOI: 10.11943/CJEM2025025

  Abstract(1) HTML(2) PDF(944.96 K)( 0)

  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 intermediate 4 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 intermediate 5， concentrated sulfuric acid （98%） was used as debenzyl reagent， and the yield was 95.2%. The yield of MTNP was 60.5% by using intermediate 4 as substrate and “one-pot method” of debenzylation/oxidation. By optimizing the reaction conditions， the total yield of MTNP synthesized from raw material 1 by one-pot method was 41.5% and the purity was 98% （area normalization method）.

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• Preparation and Catalytic Performance of Fe Single-atom Catalysts Anchored on PC Carriers

  YAO Ya-jing, DU Xi-feng, ZHANG Xin-hui, ZHANG Yu-xin, HU Shuang-qi, FENG Yong-an

  2025,33(4):324-336, DOI: 10.11943/CJEM2024248

  Abstract(0) HTML(0) PDF(3.10 M)( 0)

  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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• Preparation and Properties of of PVDF/Al

  ZHANG Cheng, YANG Wen-jin, SONG Jiang-wei, ZHANG Jun-qi

  2025,33(4):337-346, DOI: 10.11943/CJEM2025011

  Abstract(0) HTML(0) PDF(2.47 M)( 0)

  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 Al₂O₃ 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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• Thermal Decomposition and Combustion Performance of APNIMMO/RDX Photocurable Gun Propellant

  LI Man-man, XU Ming-hui, GUO Zhi-gang, YUE Chun-hui, WANG Qiong-lin, YANG Wei-tao

  2025,33(4):347-354, DOI: 10.11943/CJEM2025033

  Abstract(0) HTML(0) PDF(1.66 M)( 0)

  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 （T_pe） 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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• Reaction Characteristics of Perfluoropolyether-Functionalized Micro/Nano Aluminum in Hexanitrohexaazaisowurtzitane

  WU Cheng-cheng, SUN Sen, LI Shi-wei, GUO Xue-yong

  2025,33(4):355-366, DOI: 10.11943/CJEM2024230

  Abstract(0) HTML(1) PDF(3.30 M)( 0)

  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@xPFPE， μAl_1@xPFPE and μAl_5@xPFPE， 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@xPFPE samples and μAl_1@xPFPE samples increased gradually， while the peak pressure of μAl_1@7.5%PFPE 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%PFPE/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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• Grey Relational Analysis of Factors Influencing the Safety Performance of HTPB Propellant Slurry and Final Product

  WANG Fei, WANG Tian-shuai, ZHANG Wei-hai, LIU Jin-xiang, ZHANG Qiu-yu

  2025,33(4):367-373, DOI: 10.11943/CJEM2024305

  Abstract(0) HTML(3) PDF(1.36 M)( 0)

  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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>Calculation and Simulation

• Improvement and Application of Virial-Peng-Long Equation of State

  PENG Yue, ZHANG Lei, XIE Ming-wei, YUAN Xiao-xia, MA Hong-liang, LI Fang, LI Ming

  2025,33(4):374-383, DOI: 10.11943/CJEM2025032

  Abstract(0) HTML(0) PDF(1.21 M)( 0)

  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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• Development and Application of a Prediction Model for Thermal Decomposition Parameters of PBX Explosives

  CAO Luo-xia, WANG Hao, ZHOU Tian-yu, HUANG Qian, LV Zi-jain, ZHOU Yang

  2025,33(4):384-391, DOI: 10.11943/CJEM2025014

  Abstract(0) HTML(1) PDF(1.30 M)( 0)

  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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• Process Parameters of Single-Layer Stacking Process Through 3D Printing of Solid Propellants

  WANG Jia-wei, SHI Hong-bin, LIU Xuan-jie, SONG Shi-xiong, SHI Jia-wei, WANG Qi-hu

  2025,33(4):392-403, DOI: 10.11943/CJEM2024210

  Abstract(1) HTML(0) PDF(2.21 M)( 0)

  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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>Reviews

• Research Progress of NTO Crystallization and Modification Technology

  HU Xing-quan, WU Hao, ZHANG Yi-ying, XU Cheng, ZHAI Lian-jie, WANG Bo-zhou

  2025,33(4):404-415, DOI: 10.11943/CJEM2025019

  Abstract(0) HTML(0) PDF(3.65 M)( 0)

  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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