Abstract:The geometries of polynitropyridines have been fully optimized at the level of B3LYP/6-31++G^**. The electronic structures,the molar volumes,and the standard molar thermodynamic functions for these polynitropyridines have been calculated at the same level. Calculated results show that the C—N bonds in the pyridine ring shorten as —NO₂ groups are introduced into the 2 and 6 sites of pyridine ring and change slightly as the 3 and 4 positions are occupied by —NO₂ groups and the 2 and 6 positions by —NH₂ groups. For polynitropyridines the introduction of —NH₂ group can increase the bond order of the neighboring C—NO₂ bond. At the B3LYP/6-31++G^** level,Mulliken population analysis is not suitable for the calculation of atomic charges of polynitropyridines,but natural population analysis can be applicable for it. For 3,5-diamino-2,4,6-trinitropyridine the predicted density reaches 2.2 g ·cm^-3,and the smallest bonder order of C—NO₂ bonds is slightly smaller than that of DATB,implying that 3,5-diamino-2,4,6-trinitropyridine is a high density,low-sensitive explosive.

Abstract:The characteristics of explosive′s underwater explosion and the measure method of underwater shockwave performance are introduced. The relationship of underwater shockwave performance with the velocity and pressure of detonation,as well as the relationship of the shockwave peak pressure with the charge and the distance to measure point,have been deeply studied. The measured results of the underwater shock energies of several explosives are presented.

Abstract:The deflagration to detonation transition for granular HMX,RDX has been experimentally studied with capped pins and coaxial ionization pins. The experimental results show that the process of deflagration to detonation transition for the granular HMX,RDX is very complicated. It is affected by the ignition method,the impurity in the explosive and the DDT tube material.

Abstract:The effective pressure of various Al-containing explosives was calculated by PMMA method. Through the track of shock in PMMA,we analyzed and compared the energy-released process of various Al-containing explosives. The results indicated that when the ratio of RDX/AP kept constant,as aluminium content increased,the effective pressure of Al-containing explosives decreased at shock front and at the later stage the energy-released increased. When aluminium content kept constant,as the ratio of RDX/AP increased,the effective pressure of Al-containing explosives increased and at the later stage the energy-released almost reached consistent.

Abstract:Samples of technical TNT exposed to heat or to shock have been analyzed by means of high performance liquid chromatography(HPLC). It was found that the main decomposition products are identical in the two cases. It has been stated that the chemical micro-mechanism of the primary fragmentations of shocked TNT molecules should be the same as in the case of their low-temperature thermal decomposition.

Abstract:Elastomeric modified cast double base (EMCDB) propellant was prepared by granule-casting process. The effects of various factors on the curing of EMCDB propellant,such as the resolvability of polymer binder in NG,the reactive activity of curing agent,and the sensitivity of curing reaction to combustion catalyst,were thoroughly studied. By the analysis of the curing mechanism of EMCDB propellant,the reasons for difficult plasticization and resolution of polymer binders in casting granule were found. The results show that the better the resolvability is,the more completely the polymer binder is plasticized and resolved. The low reactive activity of curing agent is advantageous to form perfect cross-linking network. Only those combustion catalysts,which are weakly sensitive to the curing reaction,can be used in EMCDB propellant.

Abstract:The efficacy and the affecting factors of ozone oxidization for TNT-containing wastewater were studied. The related experiments were carried out by inletting continuously O₃ into the water under the conditions that the affecting factors were controlled in levels. The concentration of TNT and the COD value of the wastewater were monitored during the process of oxidization. The reactions involved in the wastewater treatment include direct and indirect oxidization ones. The former consists of the reaction between O₃ and the pollutants,while the latter is the one of hydroxyl radical with the pollutants,which is caused by O₃. Both of the reaction′s contributions to the degradation of TNT depend on the pH value of wastewater. During the ozone oxidization of TNT,trinitrobenzene-like by-products (except TNT) were formed and accumulated in the wastewater with pH below 8,but in the wastewater with pH=11,these by-products were not monitored. Rising pH,lowing TNT concentration and adding pH buffer are useful measures to increase the TNT removal efficiency by ozone oxidization. Therefore,ozone oxidization process is expected to be suitable for treating the TNT wastewater with higher pH and lower concentration of TNT.

Abstract:This paper studies the treatment of unsymmetrical dimethylhydrazine wastewater in Ni-Al-OH- system by catalytic reduction process. The reasonable technological conditions are acquired by orthogonally designed experiments. The results indicate that Ni hydrogenolysis has reliable,quantitative and efficient degradation potentiality and the catalytic reduction process holds considerable promise as a new approach to prevent environmental contamination by unsymmetrical dimethylhydrazine.

Abstract:The effects of crystal form of NQ-based composites on their explosive performances were studied. The impact sensitivity,friction sensitivity,detonation velocity,and detonation pressure of the composites were all measured. The author′s experimental results proved that the safety of various ordnances could be improved,and the explosive power could be remained when composite B is substituted with NQ97—a NQ-based composite.

Abstract:Synthesis of N,N′-bis(3-chlorophenyl)-3,4-diaminofurazan(BCPDAF) is a proposed intermediate for synthesizing a novel explosive－N,N′-bis (2′,4′-dinitrobenzofuroxan)-3,4-diaminofurazan (BNFDAF) which is predicted to have low mechanical sensitivity and high thermal stability. In this paper,the synthesis of BCPDAF is described in detail. The condensation of dichloroglyoxime with 3-chloroaniline in basic media gives N,N′-bis (3-chlorophenyl) diaminoglyxime which can then be converted to BCPDAF via dehydration in a NaOH-HOCH₂CH₂OH solution at high temperature. It is presumed that BNFDAF could be formed from BCPDAF via nitration,azidation and denitrification. The structures of BCPDAF and its intermediate have been determined by IR,1HNMR,MS and elemental analysis.

Abstract:Three kinds of adsorbant solid phase microextractions (SPME) were used to study the gases released from aged JOB explosives. These gases were obtained by storing the explosives in a closed vessel and heating them for a certain period of time. The extraction and adsorption properties of these SPMEs and the qualitative identification of the gas components have been examined by using SPME coupled with GC/MS analytical techniques. The results show that SPMEs can adsorb selectively and preconcetrate the trace organic volatiles (such as solvents, impurities) and some inorganic gases from explosives and its pertinent materials aged at different conditions. Furthermore, the ageing mechanism of JOB explosives was also explored.

Abstract:In this work TATB has been used to desensitize the sensitivity of CL-20. The influences of TATB particle size and content and of CL-20 particle size on the sensitivity of CL-20 has been investigated. Experimental results show that the desensitizing effect is better with CL-20 particles being larger and TATB particles smaller. It has been discovered that the mechanism that TATB desensitizes CL-20 is that a layer of TATB is formed on the surface of CL-20 particle.

Abstract:The nitration of tetraacetyldibenzylhexaazaisowutzitane by CAN and NaNO₂ in chloroform in the presence of phase transfer catalysts was kept for 8 hours at 40 ℃. The remained benzyl groups were nitrated successfully and the corresponding products-tetraacetyldinitrohexaazaisowutzitane was obtained with a yield of 66%. The mechanism of the nitration of N-benzyl group by CAN in the presence of phase transfer catalysts is discussed.

Abstract:The nuclear quadrupole interaction parameters for the three ¹⁴N nucleus in the ring of RDX have been calculated using the Hartree-Fock procedure. The calculated quadrupole coupling constants for the three ¹⁴N nucleus are 5.671,5.808 and 5.838 MHz,and the asymmetry parameters 0.545,0.560 and 0.564,respectively,approaching the corresponding experimental values(5.675,5.778 and 5.887 MHz for coupling constants,0.608 0,0.638 0 and 0.614 0 for asymmetry parameters). But the order of calculated quadrupole coupling constants of the three ¹⁴N nucleus is different from that of the experimental,and the reason has been analyzed.

Abstract:The syntheses and performances of some new insensitive individual explosives are introduced,including nitro-compound explosives FOX-7,LLM-105,MTNI, 4,6-nityoanilinodinitrobenzofuroxans,PL-1,LLM-116,ANTZ,nitramine explosives I-RDX,TEX and other explosives DAAT,DAAF,DAAzF. The detailed synthetic procedures and a few PBX′s formulations based on the insensitive explosives mentioned above are given,especially those for FOX-7 and LLM-105. In addition,some reference data concerning the properties of a number of insensitive explosives are summarized in this paper. FOX-7 and LLM-105 are attractive for applications in insensitive munitions due to their high energy level,moderate sensitivity,and good thermal stability.

Abstract:The research developments of high-nitrogen energetic materials are reviewed. The synthesis and properties of some new compounds derivated from tetrazole and tetrazine,especially 3,6-dihydrazino-1,2,4,5-tetrazine(DHT),3,3′-azobis(6-amino-1,2,4,5-tetrazine)(DAAT),3,6-bis (1H-1,2,3,4-tetrazol-5-yl-amino) -1,2,4,5-tetrazine(BTATz) and 5,5′-bitetrazole(BHT) are discussed. Because of their much more positive heats of formation and higher density，these high-nitrogen compounds are unique in their gas generating ability with a little or without smoke and produced residue. They may have a great future for applications in insensitive explosives,low signature propellants,gas generants and low-smoke pyrotechnics.

Abstract:The chemical structures,syntheses,properties,and applications of benzofuroxan compounds are reviewed. This paper mainly consists of three parts. The first part describes three synthetic routes used for benzofuroxans,i.e. thermolysis or photolysis of o-nitro-azidobenzene and its derivatives,oxidation of o-nitroaniline and its derivatives and oxidation,oximation and cyclization of oxophenic acid .The second part summarizes the property data of 17 benzofuroxans,including density,melting point,decomposition temperature,detonation velocity and detonation pressure etc. The third part gives some examples of benzofuroxan compounds′ application in primary explosives,PBXs,and propellants. In addition,the authors have put forward a few proposals concerning the further researches on benzofuroxan explosives.

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