Abstract:By means of an automated laboratory reactor with reaction calorimetry SIMULAR,the reaction heat and factors affecting synthesis of 5-aminotetrazole by the Stolleet′s method was studied. The results show that the reaction heat of 5-aminotetrazole is 130.35 kJ·mol^-1. The most befitting quantity of nitric acid is equimolecular. The pH value of reaction should be 2.5～5.5. The most economic reaction time is 120 min. There is a violent exothermic reaction peak in the finishing period,the instantaneous reaction heat reaches to 65 W.

Abstract:Encapsulating dispersion polymerization in the presence of nano-aluminium was used to prepare the nano-aluminium microcapsules using styrene (St) as monomer and ethyl alcohol as reaction media under the conditions without oxygen and water. The prepared nano-aluminium microcapsules have good sphericity and smooth intact surface,and have size of about 2.0 μm and more uniform size distribution. The nano-aluminium microcapsules were characterized by SEM,TEM,FTIR,X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The results showed that the nano-aluminium powders were uniformly dispersed in PS microspheres and formed nano-aluminium/polymer microcapsules.

Abstract:It is mainly concerned the modification of Composition B to control exudation,restrain irreversible size growth,enhance mechanical properties and decrease sensitivity. A kind of modified Composition B was made with coated RDX by a kind of aromatic copolymer in this work. Experimental results show that the exudation percentage and the size growth percentage of modified Composition B could be decreased by 47.6% and 75% respectively,and in the mean time,the mechanical intensity could be increased by 2 times. The sensitivity could be decreased to a certain degree,compared to that of Composition B without modification.

Abstract:The influence of nanometer-Al₂O₃ on the impact sensitivity of HMX/nanometer-Al₂O₃ was studied through testing the drop hammer impact of HMX and HMX/nanometer-Al₂O₃. The action mechanism of the nanometer-Al₂O₃ in the composite explosive was also investigated. The results indicate that the nanometer-Al₂O₃ has lubrication role. The impact sensitivity of HMX/nanometer-Al₂O₃ reduces obviously as increasing the nanometer-Al₂O₃ content in the composite explosive. The impact sensitivity of HMX/nanometer-Al₂O₃(98/2) is higher 13.1 cm than that of HMX using 2.5 kg drop hammer. The results can provide a valid approach for the improvement of military composite explosive impact safety.

Abstract:Steady-state detonation velocities and wave shapes were measured for JB-9014 rate sticks at the temperature 24 ℃,with diameters of 10,12.5,15,30 mm respectively. Wave shape data were fit with an analytic form,by which the normal velocity D_n(κ) was calculated. The data confirm that the local normal wave velocity D_n depends only on the local total curvature κ for small κ,but it varies with both curvature and explosive diameter in the case of big κ.

Abstract:Detonation drive characteristics were studied for a certain dual-focusing fragment warhead in this paper. Using DYNA3D finite element codes,key technical problems such as propagation of detonation wave,case deforming driven by detonation,scattering characteristics of fragment are numerically simulated. The simulation results show that more fragments are concentrated in two focusing regions(-17°、-14°) and (14°、17°),by two initiation points. The concentrated number of fragments is 43.09％ of all ones. Simulation results obtained can be used for the initiation system of focusing fragment warhead in engineering practice.

Abstract:The structure of channel conversion unit is designed with the basal element of null gate,and its input-output relationship is given. By utilizing channel conversion units,the two-input-four-output explosive logic circuit is constructed，in which the structure and input-output relationship are given,and its logic function is tested too. The results show that the designed two-input-four-output ELC is reasonable in structure,and it is easy to achieve its function compared to two-input-three-output ELC constructed by destruction crossovers. With this result,more complicated multi-input-multi-output ELC can be constructed and used in aiming warhead to increase the brisance.

Abstract:The surface free energy properties of fluoro rubber（F_246G，F₂₄₆₃,F₂₃₁₁,F₂₃₁₄）and RDX were measured by inverse-gas-chromatography （IGC). Parameters of chromatic dispersion,acid property,base property of fluoro rubber and RDX were calculated by ten known acid,base and natural probe molecules. The results show that fluoro rubber is basic and RDX is acidic. Fluoro rubber and RDX have acid-base action.

Abstract:Under linear temperature increase condition the thermal behavior and kinetic parameters of the exothermic decomposition reaction of the title compound were studied by means of DSC. The results show that the empirical kinetic model function in differential form, apparent activation energy and pre-exponential constant of this reaction are （１－α）^-0.506, 155.5 kJ·mol^-1 and 10^13.5 s^-1, respectively. The critical temperature of thermal explosion of the compound is 205.0 ℃. The values of ΔS^≠, ΔH^≠ and ΔG^≠ of this reaction are 6.0 J·mol^-1·K^-1, 146.5 kJ·mol^-1 and 143.7 kJ·mol^-1, respectively.

Abstract:Comparison studies of the initial velocity,bore pressure and the leavings after shooting of double-base ball propellant with that of D25 propellant were made by firing tests. The results show that the double-base ball propellant is better at ballistic performance,shooting stability and safety reliability. After analyzing various double-base ball propellants with different size,density and formula in 9 mm pistol ammunition,it is proved that the replacement of D25 propellant with the double-base ball propellant is reliable and feasible.

Abstract:The relationship among the nuclear quadrupole coupling constants (NQCC),local electric field gradient (EFG) and bonding structure of pentacrythritol tetranitrate (PETN) were studied by means of ab initio and TOWNES-DAILEY theory. The results show that they are in a good agreement with the experiments,and the errors between experiments and theories with RHF method at 3-21G,6-21G and 6-311G levels are within 13.7%. The EFG of N atoms and Z principal axle direction laid in nitrate plane and are perpendicular to N—O single bonds.The population of N atoms are in a agreement with the results of common structure chemistry. The two methods are complementary each other and the relationship between PETN molecular structure and the nuclear quadrupole resonance parameters of ¹⁴N atoms are described quantitatively.

Abstract:IR spectra of polynitroadamantenes were obtained by vibrational analysis based on fully optimized molecular geometries and electronic structures obtained at B3LYP/6-31G^* level and assigned. Compared the calculating IR spectra with that of experiments known,all the IR obtained in this paper were considered to be reliable. Based on the frequencies scaled by 0.96 and the principle of statistic thermodynamics,thermodynaminc properties were evaluated. The relationships of thermodynamic functions with temperature and the number of nitro group were discussed,and it was found that the latter shows a good group additivity rule.

Abstract:The super-fine graphite is used as main body to prepare the acceptor GIC of CuCl₂-NiCl₂ by means of ration-blend method. The layer structures of samples are investigated by X-ray diffraction (XRD). The results show that their stage structures are 2,3 stage co-existentones,the layer distance of 2,3 stage CuCl₂-NiCl₂-GIC is 1.474Åand 1.753Å. With scanning electronic microscopy (SEM),the surface figures of GIC are observed. Moreover,the relative content of elements is measured. It has been proved that CuCl₂-NiCl₂-GIC can effectively interfere the military electronic equipments in the IR range through examining the material′s granularity,fall rate and mass extinction.

Abstract:Based on the analysis of ingredients of rock expanded ammonium nitrate explosive(EANE),it is concluded that the decisive factors affecting the freeze resistance of EANE cannot expand ammonium nitrate and sawdust,but composite oil phase,an effective technical approach to manufacture freeze resistant EANE is introduced. When antifreezing agent is added into composite fuel oil,the freezing point of composite fuel oil can be reduced. Composite fuel oil may contain some kinds of antifreezing agents and other combustible agents,and its freezing point was tested. Explosion performances of freeze resistant EANE were tested after being frozen at -18 ℃ for one week. It is shown that EANE with good freeze resistance and explosion performances can be manufactured by addition of antifreezing agent into composite fuel oil. The composition of composite oil phase with satisfactory freeze resistance is diesel oil:ozokerite:paraffin:surfactant:glycerin:antifreezing oil:polymer=70:7.5:5:5:5:2.5:5, and its freezing point is 31.5 ℃. Detonation velocity,sympathetic detonation distance and brisance of EANE prepared with this composite oil are 3 546 m·s^-1,5 cm and 13.7 mm respectively.

Abstract:Toluene was nitrated effectively in fluorous phase in the presence of ytterbium(Ⅲ) perfluorooctanesulfonate（Yb（OSO₂C₈F₁₇）₃） catalyst. Perfluorodecalin(C₁₀F₁₈) was used as a fluorous solvent for this reaction. By simple separation,the fluorous phase containing catalyst has been recovered and reused for a number of times,p/o ( ratio of p-isomer to o- isomer) of the nitration product was increased to 0.92. Effects of reaction temperature,the ratio of V_PFC/V_{organic solvent} and the water in the reaction system on the nitration were investigated. It was observed that the optimum temperature for fluorous biphasic nitration of toluene was 80 ℃. Simultaneously,increasing the ratio of V_PFC/V_{organic solvent} can enhance p/o ratio.

Abstract:To determine the charge parameters of combustion pots in various conditions,VLW EOS method is used to calculate co-volume and impetus of ignition charges and explosive charges. The calculated results together with Nobel-Abel EOS,are used to predict charge parameters of combustion pots for attaining some maximum pressure output. Experiments with 1 cm³ combustion pot indicate that the average maximum pressure output of combustion pots with 0.2 g B/KNO₃ (ignition charge) and 0.0995 g RDX (combustion charge) is 179 MPa,and that of combustion pots with 0.2 g B/KNO₃ and 0.199 g RDX is 348 MPa,respectively close to 192 MPa and 384 MPa which are design values by VLW EOS method.

Abstract:The gelling process of aviation kerosene by hydroxypropyl cellulose has been studied by using a soft-solid tester. It has been found that the liquid fuel can be efficiently gelled in the presence of suitable additives,including a kind of surfactant and some other solvents etc. The gel can be formed within 3 min provided a proper formulation under a certain shear stress. In this case,the gel formed is thermo-stable,and does not experience phase separation within a temperature range of -20 ℃ to 95 ℃. In addition,the gel can be maintained for more than 12 months at room temperature.

Abstract:Using modern computers,multimillion-atom molecular dynamics simulations can offer a direct insight into the atomic processes of detonation in energetic materials. In this paper,history and recent advances of classical molecular dynamics studies of shock initiation in solid explosives are reviewed.The molecular dynamics method was first introduced by Alder and Wainwright in the late 1950s to study the interactions of hard spheres. All of the following studies emerged from their works. Section 2 of this paper will tell you something about molecular dynamics,such as the theoretical foundations of this method,the development of it and its applications in many fields.Karo and Hardy appear to have carried out the first molecular dynamics simulations of shock-induced exothermic reactions in 1977. From then on,a great deal works have been done to study the detonation in energetic material using this method. In section 3,we focus on the following three aspects of these works. First,shock initiation mechanism in solid explosives,the results of simulations on homogeneous explosives and heterogeneous explosives are presented respectively. Secondly,properties of shock waves and energy transition mechanism. Thirdly,potential functions of solid explosives,that developed from pair-potential to many body potential,REBO model from Brenner and co-workers was in common used recently:V＝∑Ｎ.-i=1∑Ｎ.-j=i+1｛fc（rij）·［VR（rij）·［VR（rij）－ij·VA（rij）］＋VvdwAt the end of this paper,some difficulties and possible directions of further researches are discussed: because of the limitation in highly idealized representation of the energetic material and insufficient computer power,studies are more likely to remain in a qualitative,model-building capacity for the foreseeable future.

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