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HU Rong-zu , ZHAO Feng-qi , GAO Hong-xu , MA Hai-xia , ZHANG Hai , XU Kang-zhen , ZHAO Hong-an , YAO Er-gang
Abstract:With the help of the constant-volume standard combustion heat ( ) of N, N’-bis[N-(2,2,2-trinitroethyl) -N-nitro]ethylene diamine (BTNEDA), the initial temperature ( ), at which DSC curves deviates from the baseline, the onset temperature ( ) and maximum peak temperature ( ) from the non-isothermal DSC curves at different heating rates( ), the thermal decomposition activation energy( and ) and pre-exponential constant( ) obtained by Kissinger’s method and Ozawa’s method, the value of from equation and the value of from equation , the value of b from equation
XIAO He-ming , ZHU Wei-hua , XIAO Ji-Jun , WANG Gui-xiang , PEI Xiao-qin
2012, 20(5):514-527. DOI: 10.3969/j.issn.1006-9941.2012.05.002
Abstract:For nearly three decades, many microcosmic theoretical criterions on impact sensitivity of energetic materials at home and abroad have been suggested by using quantum chemistry calculations and molecular dynamics simulations. In this article, we mainly present some work on thermal decomposition mechanisms and sensitivity criterions of energetic molecules, crystals, and composite materials by our research group. Among them, some studies and criterions on impact sensitivity of energetic crystals and composite materials are reported for the first time.
MAN Tian-tian , NIU Xiao-qing , ZHANG Jian-guo , WANG Ying , ZHANG Tong-lai , ZHOU Zun-ning
2012, 20(5):528-533. DOI: 10.3969/j.issn.1006-9941.2012.05.003
Abstract:Seven high-nitrogen energetic compounds were devised: C(N3)4, B(N3)3, N(N3)3; CC(N3)4, BN(N3)4, NN(N3)4 and CC(N3)6, which are structurally similar to CH4, BH3, NH3 and C2H4. The molecular geometries, IR spectra, bond order and frontier orbital energies of these compounds were obtained at B3PW91/6-311+G(d) level of theory. The calculated results show that they were stable on the related potential energy surface. The theoretical spectrum agreed well with the experimental value. According to the results of bond orders, we could predict that the possible primary decomposition reactions of the title compounds may be the elimination of azido group or the center bond breaking. The heat of formation, density and detonation performance of the above compounds were obtained. These results indicate that almost all titled compounds have potential applications in the field of high energy density materials.
GAO Da-yuan , WEN Wen , SHU Yuan-jie , HUANG Qian , CAI Zhong-zhan , WEN Mao-ping , LAN Lin-gang , LUO Guan
2012, 20(5):534-540. DOI: 10.3969/j.issn.1006-9941.2012.05.004
Abstract:Comp.B was modified by adding 2% thermoplastic elastomer 401 and 501. For the MB-1 and MB-2 of modified Comp.B, mechanical properties and drop hammer impact sensitivity were tested, detonation performance was calculated by using experience method and VLWR code. Results show that the elasticity and toughness of the MB-1 and MB-2 were better than that of Comp.B, the toughness of MB-2 were better than that of MB-1 in low speed impact experiment. In drop hammer impact test of big-bill explosives, the threshold heights of ignition for the MB-1 was 3.5 m to 4 m, for MB-2 it was 6 m to 6.5 m. The impact sensitivity of MB-1 was higher than that of MB-2. Compared with Comp.B, the CJ velocities of the MB-1 and MB-2 decrease by about 0.104 mm·μs-1 and 0.099 mm·μs-1, respectively; the CJ pressures of the MB-1 and MB-2 decrease by about 1.3 GPa and 1.2 GPa,respectively.
WANG Jun , DONG Hai-shan , LI Jin-shan , SHU Yuan-jie
2012, 20(5):541-544. DOI: 10.3969/j.issn.1006-9941.2012.05.005
Abstract:New polynitroimidazole explosive molecules were designed using 2,4, 5-trinitroimidazole as “matrix” structural unit. The explosion parameters of designed explosives were calculated by Brinkley-Wilson(B-W)rule for predicting explosion decomposition products, Rothsteine′s method for estimating detonation velocity and Kamlet method for estimating C-J pressure. And the calculated detonation parameters were compared with those of RDX and HMX explosives. Results show that the designed explosives are a new class of high energy density material compounds with high density, detonation velocity and detonation pressure approaching to that of RDX even HMX. As imidazole ring in the molecules, having aromacity, the stability of these explosives molecules designed is favorable for potential application.
SUN Jie , ZHANG Hao-bin , WEN Mao-ping , ZHANG Qiu , LIU Xiao-feng
2012, 20(5):545-550. DOI: 10.3969/j.issn.1006-9941.2012.05.006
Abstract:Thermal expansion of explosives have important impact on their applications and investigations on the relationship between thermal expansion and crystal preferred orientation can provide some guide for controlling the shape stability. This paper studied the preferred orientation (F) of 1,3,5-triamino-2,4,6-trinitrobenzene(TATB)crystals using X-ray diffraction and Rietveld refinement, and studied the thermal expansion of die-pressed cylinders with near-spherical, platy and raw materials TATB. Finally, the relationship between the crystals preferred orientation and thermal expansion was investigated. It′s shown that die-pressed TATB cylinders usually take place anisotropic thermal expansion with the coefficient of thermal expansion (CTE) along the diameter about 2 times of that along the radial, and the formula can be pressed as αCTE=(7.08+10.37×F)×10-5K-1. The thermal expansion of TATB cylinders increase with the crystal preferred orientation, and TATB cylinders with different morphological crystals have different preferred orientation. So, we can try to control the preferred orientation by change the crystal morphology, further to restrain the anisotropy of thermal expansion, and finally to improve the shape stability of TATB cylinders.
HUANG Jing-lun , ZHANG Li-yuan , MA Qing , WANG Zheng
2012, 20(5):551-554. DOI: 10.3969/j.issn.1006-9941.2012.05.007
Abstract:To avoid the influence of Cl- in 1,3,5-triamino-2,4,6-trinitrobeneze(TATB), the synthetic technology improvement of TATB without Cl- was studied starting from phoroglucinol (PG), which were three steps including nitration, alkylation and amination. The affecting factors such as reactant reagent, mole ratio of material, temperature and concentration of reaction were studied. The yield of each step reaction reaches up to 91%. The structures of TATB and its intermediates were identified by 1H NMR,13C NMR, and mass spectra. There are two special aspects in the improved technology: one is the new nitration agents NH4NO3/H2SO4, and other is usage of ethanol as the reaction solvent. The optimized nitration conditions are :molar ratio of PG to NH4NO3 13.3, reaction concentration 0.356 mol·L-1, temperature below 10 ℃.
ZHANG Xue-mei , DONG Hai-shan , SUN Jie , GAO Da-yuan , XIA Yun-xia , LIU Xiao-feng , DONG Xiao
2012, 20(5):555-559. DOI: 10.3969/j.issn.1006-9941.2012.05.008
Abstract:A phase diagram of 1,3,3-trinitroazetidine(TNAZ) and 3-amino-2,4,6-trinitroanisole (ANTA) was draw by origin software and the sensitivity, thermal stability, and detonation performance of the eutectic mixture were tested in order to design a potential TNT replacement for melt-cast explosive. The results show that when the weight percent of 3-methoxy-2,4,6-trinitrobenzenamine is 40%, the mixture has the lowest melting point, 84 ℃. The eutectic mixture has good thermal stability and its friction sensitivity, impact sensitivity, electrostatics sensitivity are comparable to TNT. The working capability of the mixture is 148% equivalent to TNT and 114% equivalent to Comp.B. Furthermore, another advantage of eutectic mixture is that there is no permeability oil at 70 ℃ for 6 h. These results indicate that the eutectic mixture is a potential replacement of TNT for melt-cast explosive.
CHEN Ling , LI Hua-rong , XIONG Ying , XU Rui-juan , XU Tao , LIU Xiao-feng , SHU Yuan-jie
2012, 20(5):560-564. DOI: 10.3969/j.issn.1006-9941.2012.05.009
Abstract:The melt point, crystal shape, structures and interaction of different mole contents of methyl-nitroguanidine and hydrazine nitrate were tested by differential scanning calorimeter(DSC), optical microscope, X-ray diffraction(XRD) and density functional theory respectively. The experimental results show that the lowest melt point is 67.06 ℃, the most stable configuration, the stick crystallization shape which is different from methyl-nitroguanidine and hydrazine nitrate appear at mol ratio of 32, and the structure is uniformity compared with other mol ratio eutectics. Calculation results of quantum chemistry show that the eutectic is not a simply mechanical mixtures, but to be formed by some sort of loose molecular or atomic interaction which can agree well with the result of enthalpy of fusion.
ZHANG Wei-bin , TIAN Yong , YANG Reng-cai , DAI Bin , YANG Xue-hai
2012, 20(5):565-570. DOI: 10.3969/j.issn.1006-9941.2012.05.010
Abstract:The pressing process for RDX crystals was investigated with a cone-beam micro-focus computed tomography(μCT). The voids among the pressed RDX crystals, and their section pressing density and distribution were analyzed. Results show that the density of RDX crystals becomes more compact and uniform under 150 MPa, but some visible micro-gaps still exists inside the crystals. The distribution gradient of pressing density is very obvious at along the direction of pressure. Increasing the pressing pressure will be favorable to the uniform of the density distribution, but too high pressure will induce macro cracks. As a nondestructive test method, μCT shows a strong capability in the research of RDX crystals density distribution during pressing process.
SONG Wen-xiong , ZHAO Shi-jin
2012, 20(5):571-574. DOI: 10.3969/j.issn.1006-9941.2012.05.011
Abstract:In order to evaluate the applicability of ReaxFF in Aluminum, some physical properties about aluminum were calculated by reaction force field (ReaxFF), and compared with embedded atom method (EAM), DFT and the experimental value. The result is that the energy and the elastic constant calculated by ab initio and EAM methods are in accord with the experimental well, and ReaxFF values are reasonable. DFT, EAM, and ReaxFF methods could distinguish the face center cubic (fcc), body center cubic (bcc) and simple cubic (sc) structures well. ReaxFF obtains the fcc-Al cohesive energy, Ev=4.0248 eV, while the experimental is 4.05 eV. ReaxFF calculates the vacancy formation energy, 1.136 eV, while the experimental is 0.68 eV. ReaxFF calculates the elastic coefficients not well; ReaxFF predicts the Cauchy pressure, approximate zero, which it always nonzero. Thereby, the energy released and propagation velocity could be researched by ReaxFF well, but it is not good to describe elastic properties.
GAO Feng , HUANG Hui , HUANG Ming , DUAN Xiao-hui
2012, 20(5):575-578. DOI: 10.3969/j.issn.1006-9941.2012.05.012
Abstract:Four contrastive experiments were carried out to study HMX re-crystallization morphology in propene carbonate solvent on different experimental conditions. Morphology of re-crystallization sample was obtained by optical microscope (OMS). OMS result show long-time crystallization can make crystal average particle size up to 2000 μm. Adding crystal seeds can avoid twin crystal and get uniform crystal morphology. Addition of crystal seeds and a little water makes morphology of crystal tend to be spherical. Morphology of crystal is more uniform if seeds exist. Crystal face of (100) always exists among the HMX crystal form from PC through simulution of the crystal structure.
LIU Qiang-qiang , JIN Bo , PENG Ru-fang , SHU Yuan-jie , CHU Shi-jin , DONG Hai-shan
2012, 20(5):579-582. DOI: 10.3969/j.issn.1006-9941.2012.05.013
Abstract:Trinitrophenyl ethanol (PicCH2CH2OH) was prepared through the reaction of TNT and formaldehyde used as starting materials under the weak base condition, and the target product acrylic 2,4,6-trinitrophenethyl ester with a yield of 62% was synthesized through the reaction of acrylic acid and PicCH2CH2OH under the conditions of concentrated sulfuric acid as catalyst, toluene as solvent and reflux for 24 h. The product was characterized by 1H NMR, FTIR, UV-Vis, MS and elemental analysis. The thermal stability of the product was studied by thermogravimetric analysis (TG), and the kinetic parameters (activation energy and pre-exponential factor) for decomposition reaction were obtained by Kissinger′s method and Ozawa′s method.
FU Zhan-da , WANG Yang , CHEN Fu-xue
2012, 20(5):583-586. DOI: 10.3969/j.issn.1006-9941.2012.05.014
Abstract:Nitro-5-guanidino-1,2,4-oxadiazole (NOG) was obtained by oxidation of diaminoglycoluril (AG) with in situ generated dimethyldioxirane (DMDO). The particle morphological appearance of NOG prepared with the quick precipitation method was studied by scanning electron microscopy (SEM). The thermal behavior of NOG was studied by differential scanning calorimetry (DSC) and differential thermal/thermo-gravimetric analyzer (TG-DTA). The apparent activation energy (E) and pre-exponential factor (A) of the exothermic decomposition reaction,the peak temperature (TP0) of heating rate β→0, and activation entropy (ΔS≠), activation enthalpy (ΔH≠),activation Gibbs free energy (ΔG≠) at TP0 of the reaction and the critical temperature of thermal explosion (Tb) were calculated. The results show that NOG has better heat-resistance ability. The decomposition temperature of NOG is 290 ℃. The critical temperature of thermal explosion (Tb) is 291.56 ℃, ΔS≠ is 232.35 J·k-1·mol-1, ΔH≠ and ΔG≠ is 267.36 kJ·mol-1 and 138.42 kJ·mol-1, respectively.
ZUO Yu-fen , XIONG ying , CHEN jie , XIA Jing-qiong , WANG lin
2012, 20(5):587-591. DOI: 10.3969/j.issn.1006-9941.2012.05.015
Abstract:The curves of changes in exothermic mass and exothermic rate of polymer bonded expesive(PBX), polyurethane gum and their contacted system with time during the aging by 100 ℃/20 d were obtained by a microcalorimeter. The samples before and after aging were tested by TG-DSC and FTIR. The results show that HMX based PBX and polyurethane is compatible. After being aged, the surface structures of HMX based PBX show no change, while the partial structures of polyurethane gum undergo degradation.
ZHU Lin , OU Jiang-yang , YANG Xiao-yu , WANG Yan-jun
2012, 20(5):592-595. DOI: 10.3969/j.issn.1006-9941.2012.05.016
Abstract:Al powder,RDX and catalysts was coated by nitrocellulose and formed composite spherical green powder. The modified double-based propellant product was produced by the composite spherical green powder. The effects of the composite spherical green powder on mechanical and combustion properties of formed propellant were studied. Results show that their mechanical properties are much better than that of double-based spherical green powder made propellant. Their low temperature elongation at break from is increased from 7.84% to 26.86%,the max ensile strength at high temperature is close to double increase,and the temperature pressure index is decreased from 0.38 to 0.30.
XU Min , BI Fu-qiang , ZHANG Gao , WANG Min-chang , GE Zhong-xue , CHEN Zhi-qun , XU Cheng
2012, 20(5):596-600. DOI: 10.3969/j.issn.1006-9941.2012.05.017
Abstract:p-Dimethylaminophenylpentazole(p-DMAPP) and p-hydroxyphenylpentazole(p-HPP) were synthesized at -40 ℃,using N1,N1-dimethylbenzene-1,4-diamine and 4-aminophenol as starting meaterials, respectively. Their stuctures were characterized by 1H NMR, 13C NMR , 1H-13C HMBC,15N NMR and 1H-15N HMBC at low temperature. The results show that the 1H NMR and 13C NMR data of p-DMAPP and p-HPP are in accordant with the literature values. Nitrogen signals of pentazole are assigned as N-1(δN -80.0), N-2/5(δN -27.3), N-3/4(δN 5.1) for p-DMAPP and N-1(δN -84.1), N-2/5(δN -28.1), N-3/4(δN 4.2) for p-HPP, respectively.
LIN He , ZHU Shun-guan , LI Hong-zhen , ZHANG Lin , HU Jian-ju
2012, 20(5):601-604. DOI: 10.3969/j.issn.1006-9941.2012.05.018
Abstract:The dynamic online analysis system consisted of focused beam reflectance measurement (FBRM) and automated lab reactor (Labmax) was used to determine the solubility of HMX in N,N-dimethylformamide (DMF),1,4-butyrolactone and cyclohexanone. The experimental solubility data were correlated with Apelblat model and polynomial empirical equation,respectively. The results show that the average relative deviations and the correlation coefficients of HMX solubility in DMF,1,4-butyrolactone and cyclohexanone are 0.5,0.4,0.009582 and 0.7,0.9,0.99565 for Apelblat model, and 0.9,0.6,0.033673 and 0.8,0.8,0.99768 for polynomial empirical equation,showing that the solubilities of HMX are well-fitted in the Apelblat model.
HUANG Bei , WANG Hao , WANG Shuai , GUO Jin-yan
2012, 20(5):605-609. DOI: 10.3969/j.issn.1006-9941.2012.05.019
Abstract:For the issue of foils′ separation and dispersion, a dispersing experiment was carried out by using two materials (diameter of 49.5 mm, thickness of 0.15 mm, 1 g; diameter of 47 mm, thickness of 0.05 mm, 0.5 g). The experimental model, testing scheme were established and gridding method about digital picture was introduced. The high-speed digital photos were analyzed combined with statistical parameters. The dynamic process was displayed fairly consisting of cast, separation and dispersion with a mass of foils. The trajectory with velocity decrease and descent movement of plate was obtained. The dynamic characteristics of dispersing cloud were statistically analyzed. The results reveal the mass of foils separated from the tail of cluster due to the aerodynamic. The cluster separates into several parts which disperse scheduling. Each part shows a cone shape based on which a cone-shaped cloud dispersing model was established. The model described the expansion and movement of cloud effectively.
WANG Ke-xuan , BAI Ying-wei , REN Wei , CHENG Jia-qi
2012, 20(5):610-613. DOI: 10.3969/j.issn.1006-9941.2012.05.020
Abstract:In order to investigate the hot-wire EED′s (Electro-explosive device) response rules in continuant electromagnetic environment and to provide the theoretic support for hot-wire EED′s anti-electromagnetic reinforcing design, an elementary model was founded. Base on the elementary model, the important parameters and electromagnetic radiation experiments were studied, which consist with the elementary model and theory formula.
NIU Jia-xin , SUN Gui-zhi , ZHANG Yu-qing , WANG Bo , LI Yong , SUN Hai-quan
2012, 20(5):614-617. DOI: 10.3969/j.issn.1006-9941.2012.05.021
Abstract:The chemical stability of di-stabilizers single-based propellant with diphenylamine(DPA) and centralite Ⅱ used as stabilizer heated at 75 ℃, 85 ℃, 90 ℃ and 95 ℃ and the reaction mechanism of the two stabilizers were studied by a multi-temperature artificial accelerated ageing test and gas-chromatography (GC), respectively. Results show that the safe storage life at 30 ℃ obtained by Berthelot′s equation is 42 years. In the initial stage of storage, the chemical stability of di-stabilizers single-based propellant DPA plays a major role in stabilizing the propellant. After DPA is consumed, centralite Ⅱ starts to play. The chemical stability of di-stabilizers single-based propellant is better than that of other normal single-based and double-based propellants.
MA Qing , SHU Yuan-jie , LUO Guan , CHEN Ling , ZHENG Bao-hui , LI Hua-rong
2012, 20(5):618-629. DOI: 10.3969/j.issn.1006-9941.2012.05.022
Abstract:A systematic overview of TNT based melt cast explosives in toughening and elasticizing experiments is given. New toughening and elasticizing route, and computational research on interaction of components in melt cast explosives are introduced. Brittleness and cracks in melt cast explosives restrain the application in high performance weapon systems. The research on toughening and elasticizing melt cast explosives can be divided into three explanation: (i) the conception of “Toughening and Elasticizing” is not reported, research on the melt-cast explosives modifier mainly aims at oil saturation and insensitivity reduction, the problem of brittleness and cracks are not solved yet. (ii) toughening techniques of other composites could be used for reference to melt cast explosives, especially toughening and elasticizing techniques of nano particles and polymer materials; (iii) designing and preparing the modifier comparable to melt cast explosives, researching the mechanical properties after blending and casting, start to establish the model and mechanism of toughening and elasticizing melt-cast explosives.
BI Fu-qiang , WANG Bo-zhou , LI Xiang-zhi , FAN Xue-zhong , XU Cheng , GE Zhong-xue
2012, 20(5):630-637. DOI: 10.3969/j.issn.1006-9941.2012.05.023
Abstract:Tetrazine 1,3-dioxide is a potential energetic moiety in the design and synthesis of high energy density materials. The synthetic methods of 1,2,3,4-tetrazine 1,3-dioxide and its key intermediate 2-tert-butyldiazene oxide were reviewed respectively, and the research progresses in benzo-1,2,3,4-tetrazine 1,3-dioxide, pyrido-1,2,3,4-tetrazine 1,3-dioxide, nonannulated 1,2,3,4-tetrazine 1,3-dioxides and their derivatives were reviewed in detail. Moreover, the development progress of furazano[3,4-e]-1,2,3,4-tetrazine 4,6-dioxide (FTDO) and 1,2,3,4-tetrazino[5,6-e]-1,2,3,4-tetrazine 1,3,5,7-tetraoxide(TTTO), two typically energetic materials, was presented.
2012, 20(5):638-642. DOI: 10.3969/j.issn.1006-9941.2012.05.024
Abstract:To popularize the isostatic pressing technology of explosive charge from high-end special industry to conventional ammo industry, the technological characteristics and method of molding of the explosive by isostatic pressing were outlined. The current research situation of the isostatic pressing technology of explosive charge was summarized. Through analysis, considering that the isostatic pressing technology of explosive charge is an important technology way to enhance the energy level and the launching safety of the explosives charge synchronously. Vacuumizing the materials before isostatic pressing charging or in the molding process of the explosive is favourable to improve the compactness and inner qualities of the explosives. Suggestions on the application of isostatic pressing technology of explosive charge in conventional ammo were presented for the conventional warhead development requirements of the high quality technology of explosive charge.
CAO Xia , XIANG Bin , ZHANG Chao-yang
2012, 20(5):643-649. DOI: 10.3969/j.issn.1006-9941.2012.05.025
Abstract:The relationships between molecular and crystal structures of explosives and their sensitivities are reviewed. Which include the theory criterions from molecular structures, such as nitro group charge, interaction energy among substitutes, electron-attracting ability, bond dissociation energy, bond order, bond gap between Highest Occupied Molecular Orbital (HOMO) and Lower Unoccupied Molecular Orbital (LUMO), electrostatic potential at the midpoint of the C—NO2 bond, and nuclear magnetic resonance (NMR) chemical shift; and the impact effect of the anisotropy of crystal, π-stacked structures, and hydrogen bond on sensitivities in crystal packing. And it will be necessary to explore the sensitivities on the mesoscale level in the future.
XUE Min , ZHONG Xu , MENG Zi-hui , CHEN Zhi-qun , XU Min , JIA Lin , ZHANG Gao
2012, 20(5):650-652. DOI: 10.3969/j.issn.1006-9941.2012.05.026
Abstract:The analytical method of trace ionic impurities in 3,4-Dinitrofurazan (DNTF) was established using ion chromatography considering their significant effect up on the quantity control in this explosive preparation process. Precise quantitative determination of anions and cations existing in DNTF with and without refining had been performed. The concentrations of Na+, Mg2+, Ca2+, HCOO-, Cl-, NO-2, and NO-3 in crude sample are 53.3,5.5,2.4,2.6,1.8,2.8,8.2 μg·g-1, respectively, while those of the corresponding ions were obviously reduced after the product was refined.
YANG Wei , WANG Bo-zhou , WANG You-bing , LI Ya-nan
2012, 20(5):653-655. DOI: 10.3969/j.issn.1006-9941.2012.05.027
Abstract:Dinitroguanidine is a product of nitroguandine nitration with nitric acid and oleum. Ammonium-dinitroguandine (ADNQ) was synthesized by 1,2- nitroguanidine and ammonium carbonate. Using 1,3-dichloro-2-nitrazapropane and potassium dinitroguanidine as starting materials, 1,7-diamino-1,7-dinitrimino-2,4,6-triazaheptane (APX) was synthesized by condensation with sodium iodide and 18-crown-6. Potassium dinitroguanidine was readily available starting from 1,2-dinitroguanidine and potassium bicarbonate by the reaction of acid-base neutralization. The overall yield is 75%. Both compounds and their intermediates were characterized by IR, 1H NMR and elemental analysis.
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Editorial Board of Chinese Journal of Energetic Materials
Vol. , No.,
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