Abstract:In order to clarify the influence mechanism of H₂O and H₂O₂ molecules on the thermal stability of energetic cocrystals， molecular dynamics （MD） simulation method was employed to analyze the diffusion behavior and thermal decomposition mechanism of solvent molecules in α-CL-20 and CL-20/H₂O₂ （orthogonal/monoclinic）. The results show that both H₂O and H₂O₂ will diffuse out of the cell as the temperature rises， among which H₂O molecules diffuse faster； when the temperature is lower than 500 K， the monoclinic CL-20/H₂O₂ lattice framework has the ability to hinder the diffusion of H₂O₂ molecules. When the temperature rises above 500 K， this hindering effect no longer exists. In the process of thermal decomposition， α-CL-20 releases energy the slowest， and the decomposition of CL-20 also proceeds the slowest； when the temperature is lower than 1500 K， the solvent exhibits a certain stabilizing effect on the thermal decomposition of energetic components， but this effect disappears as the temperature rises. In addition， the presence of solvents can increase the lattice energy significantly.

Abstract:In order to investigate the thermal decomposition mechanism of the energetic cocrystal TKX-55 and the effect of solvent component dioxane （1，4-dioxane， DIO） on the decay of the energetic component 5，5´-bis（2，4，6-trinitrophenyl）-2，2´-bis（1，3，4-oxadiazole） （BTNPBO）， the molecular dynamics simulations on TKX-55 and pure solvent component DIO were carried out with the ReaxFF-lg （Reactive Force Field-Low Gradients） force field. The results show that the initial decomposition reaction of TKX-55 includes the dimerization of energetic molecules， the hydrogen transfer between energetic and solvent components， the ring-opening reaction of 1，3，4-oxadiazole in energetic components， and the dissociation of nitro group. The dimerization reaction facilitates the rapid growth of the subsequent clusters， and the release of the heat and the stable small molecule products are restricted by the formation of a large number of clusters. It is one essential reason for the high heat resistance of TKX-55. For the pure solvent， the heat release and clustering are constrained at low temperatures； while enhanced at elevated temperatures. The main role of DIO molecules in TKX-55 is thought-to adsorb small reactive intermediates （such as OH， NO， NO₂， etc.） and thereby inhibit the decomposition of BTNPBO.

Abstract:A cyclo-pentazolate anion-based energetic cocrystal （NH₃OH⁺N₅^-）₂·NH₃OH⁺Cl^-·H₂O was designed and synthesized by AgN₅ （or NH₃OH⁺N₅^-） and hydroxylamine hydrochloride（NH₃OH⁺Cl^-） as raw materials. The structure of the compound was characterized by X-ray single crystal diffraction， infrared spectroscopy and elemental analysis. The structure belongs to the monoclinic crystal system，the P2₁/n space group， a=3.8390（6）Å， b=14.665（2）Å， c=21.975（3）Å， V=1236.4（3）ų， α=γ=90°， β=92.034（3）°， Z=1， D_c=1.589 g·cm^-3. In addition， the thermal stability of （NH₃OH⁺N₅^-）₂·NH₃OH⁺Cl^-·H₂O was studied using DSC and TG， and the results showed that its initial decomposition temperature was about 95.6 ℃. Its detonation velocity and detonation pressure were calculated by EXPLO5 to be 8260 m·s^-1 and 23.79 GPa. （NH₃OH⁺N₅^-）₂·NH₃OH⁺Cl^-·H₂O has low impact and friction sensitivities （IS>40 J； FS>360 N）， as the cocrystal of hydroxylamine hydrochloride can greatly reduce the mechanical sensitivity of NH₃OH⁺N₅^-.

Abstract:The thermites with different morphologies performed differently. To explore the influence of different MoO₃ morphologies on the thermal properties and combustion behavior of Al/MoO₃ thermite， Al/rod-MoO₃ and Al/ribbon-MoO₃ thermite were prepared. Field emission scanning electron microscope （FE-SEM）， X-ray diffractometer （XRD） and differential scanning calorimetry （DSC） were used to characterize their morphology and thermal properties. The DSC results showed that the Al/ribbon-MoO₃ thermite had a heat release about 1702 J·g^-1， while the Al/rod-MoO₃ thermite released 432 J·g^-1. The initial reaction temperature of Al/ribbon-MoO₃ thermite was 401.95 ℃， which was 102.92 ℃ earlier than the 504.87 ℃ of Al/rod-MoO₃ thermite. Non-isothermal thermodynamic analysis showed that the activation energy （E_a） of the two thermites was not significantly different， but the Al/rod-MoO₃ thermite presented a higher thermal explosion critical temperature （T_b）， indicating that the Al/rod-MoO₃ thermite exhibited higher safety. In the open combustion experiment， there was little difference in the combustion behavior of the two thermites. When the thermite burnt out， the Al/ribbon-MoO₃ thermite splashed sparks. The closed-tube combustion experiment showed that the combustion wave velocity of Al/rod-MoO₃ thermite increased primely then decreased， and the maximum wave velocity reached 1037 m·s^-1. The combustion wave velocity of Al/ribbon-MoO₃ thermite was on the rise， and the maximum velocity was 2710 m·s^-1. Al/ribbon-MoO₃ thermite is superior to Al/rod-MoO₃ thermite in heat release and combustion performance， but the Al/rod-MoO₃ thermite is much safer.

Abstract:A novel energetic non-metallic pentazolate salt， 3，5-diamino-4-nitro-1H-pyrazol-2-ium pentazolate （3）， was synthesized by a metathesis reaction of 3，5-diamino-4-nitropyrazole hydrochloride with sodium pentazolate. The structure of 3 was characterized by nuclear magnetic resonance （NMR）， single crystal X-ray diffraction analysis （SC-XRD）， Fourier infrared spectroscopy （IR） and elemental analysis （EA）. The study on thermal behavior of 3 by using differential scanning calorimetry （DSC） and thermogravimetry （TG） show that its onset decomposition temperature is 119.5 ℃， which is higher than most non-metallic pentazolate salts. The apparent activation energies were calculated based on DSC curves at different heating rates. Based on the measured density at room temperature （1.71 g·cm^-3） and calculated enthalpy of formation （503.3 kJ·mol^-1）， the detonation performances of 3 （D=8483 m·s^-1， p=26.4 GPa） were calculated by Explo5 V6.05.02 software. The impact sensitivity and friction sensitivity of 3 are 10 J and 216 N， respectively.

Abstract:In order to study the damage of polymer bonded explosive（PBX） under dynamic shock loads， the constitutive curve of the mechanical damage of PBX under different strain rates was obtained by using the Split-Hopkinson pressure bar（SHPB） test device. And the constitutive parameters in the Z-W-T constitutive model with damage variables were fitted in sections. Then， based on the fitting results， the finite element theory， elastoplastic mechanics and ABAQUS/VUMAT， the subroutine of PBX containing damage is completed， and is verified by the finite element simulation. The model is used for finite element engineering examples. Results show that the verification results of finite element samples are in good agreement with the experimental results， and the correlation degree of the results is higher than 0.95.The stress cloud diagram and damage variable cloud diagram for fragment penetration example reflect the change and possible damage location of PBX under shock loads.The evolution process of damage cloud diagram reflects the correlation between damage evolution and strain rate effect of PBX.

Abstract:Three energetic coordination compounds with strong reducibility were prepared with cyanoborohydride （CBH） as anion， 1-vinyl imidazole （VIM） as ligand and transition metals Co， Mn and Ni as central ions. The crystal structures were determined by single crystal X-ray diffraction and their molecular formulas are Co（VIM）₄（CBH）₂， Mn（VIM）₄（CBH）₂ and Ni（VIM）₄（CBH）₂， respectively. The thermal decomposition performance， oxygen bomb calorimetry and mechanical sensitivities of the complexes were tested. The results show that the complexes have high burning calorific capacity （26.5-29.1 kJ·g^-1）， low friction sensitivity （>360 N） and impact sensitivity （>40 J）. Hypergolic testing with white fuming nitric acid shows that the complexes can combust spontaneously， and the ignition delay time is short （4-13 ms）， which confirm the high reduction activity of the complexes. To explore the application of active coordination compounds in initiating explosive devices， three new composite igniting powders were obtained by mixing three complexes with sodium bromate in the mass ratio of 1∶7， respectively. The composite powders were ignited and tested with electric heating wire. After being ignited by electric heating wire， the three composite agents can burn continuously and produce large flame. Results show that the composite agents have potential applications as new ignition agents.

Abstract:To explore organic amine oxyanions with simple synthesis procedure and high energy， ethylenediamine diiodic acid and ethylenediamine hexamiodic acid were synthesized with iodic acid and ethylenediamine. The structures were characterized by single crystal X-ray diffraction， powder X-ray diffraction （PXRD） and Fourier transform infrared spectroscopy （FT-IR）. Differential scanning calorimetry（DSC）and thermogravimetric analyzer（TG）were used to study the thermal decomposition process. The power test of lead plate as main charge in 8^# industrial detonator and the burning test were carried out. The results show that two ethylenediamineIodate salts are successfully prepared. The ethylenediamine diiodic acid belongs to orthorhombic system， Pbca space group， cell parameters： a=7.4427 Å， b=6.7418 Å， c=18.2884 Å， Z=8， F（000）=760， D_c=2.982 g·cm^-3， and the peak temperature of thermal decomposition is 185.18 ℃. The ethylenediamine hexamiodate is a cocrystallization of ethylenediamine diiodate and iodate acid. It belongs to monoclinic system， P2₁/c space group， cell parameters： a=7.2350 Å， b=18.498 Å， c=7.5494Å， β=107.947°，Z=4， F（000）=996， D_c=3.840 g·cm^-3， and the peak temperature of thermal decomposition is 179.48 ℃ and 356.87 ℃. The 5 mm lead plate can not be made through when the ethylenediamine hexamiodic acid is used as main charge， while the opposite result occurs when mixed with 10% aluminum powder. The ethylenediamine diiodate can be used as a simple purple smoke agent.

Abstract:The conventional lead azide （Pb（N₃）₂， LA） preparation process has problems such as the risk of self-explosion. Aiming at the above problems， the spin-T microfluidic chip with the characteristics of short diffusion distance， large specific surface area， and continuous reaction was used as a microreactor. And then， the LA primary explosive synthesized by microfluidics was spherically modified by using the flow-focusing droplet chip. The effects of the flow rate， crystal form control agent， and other factors on the product were investigated by SEM， XRD， and DSC. The sensitivity and explosion performance of microfluidic LA， microsphere LA， and powder LA were compared. The results show that by controlling the microfluidic reaction parameters， the particle size of the LA can be effectively controlled， and they were all α-type. After the spheroidization， the impact sensitivity H₅₀ （25.5 cm to 12.1 cm） was significantly improved， but the electrostatic spark E₅₀ （1.98 kV to 2.97 kV） and flame sensitivity L₅₀ （26.3 cm to 16.1 cm） were reduced. At the same time， the detonation pressure was increased （by 63.6%）. It shows that the microfluidic technology was an effective method that can safely prepare and modify the LA primary explosive， which provided an idea for the controllable preparation and regulation of sensitive primers.

Abstract:In order to improve the economic benefit of producing 2，2，4-trimethyl-1，3-pentanediol（TMDP）， a more efficient and safe microchannel continuous flow process was selected to replace the traditional kettle-type batch production method with using isobutyl aldehyde as raw material and sodium hydroxide solution as catalyst. The effects of catalyst sodium hydroxide concentration， dosage， temperature and residence time on the reaction were investigated. The optimum conditions were determined as follows： sodium hydroxide concentration 50%， v（isobutyral）∶v（NaOH）=1， residence time 10 min， reaction temperature 40 ℃. Under these conditions， the conversion of isobutyraldehyde was 99.02%， the selectivity of TMDP was 93.57%， and the yield was 92.65%. The process made full use of the excellent mass and heat transfer characteristics of the microchannel reactor， greatly shortened the reaction time， increased the reaction rate， extended the selection range of process conditions， and realized the effective control of the reaction process of hydroxylaldehyde condensation. At the same time， the kinetic studies were carried out at different temperatures and concentrations of sodium hydroxide， and the kinetic equations and corresponding parameters were obtained with the concentration of sodium hydroxide being 50% and 45% respectively. The macroscopic kinetics obtained by fitting is second-order， and the activation energy and pre-exponential factors are： 26.34 kJ·mol^-1， 2888.26 L·K^-1·mol^-1·min^-1.

Abstract:As an energetic material， octogen（HMX） is widely used in solid propellants. While improving the energy performance of the propellant， it also changes the combustion process of the propellant. To study the effect of HMX content on the ignition， combustion， and agglomeration properties of propellant and its condensed phase combustion products （CCPs）， burning surface photography， laser ignition and collection of the CCPs were used for testing and studying typical AP/HTPB/Al/HMX propellants with HMX contents ranging 0%-10%. Results show that as the HMX content increases from 0 to 10%， the ignition delay time increases from 191 ms to 286 ms， and both the burning rate and pressure exponent of the propellent decreases. The volume average particle size of the CCPs increased from 48.1 μm to 138.3 μm. The propellent with 10% HMX has the highest agglomeration degree on the burning surface， while the propellent with 8% HMX has the highest active aluminum content in the CCPs.

Abstract:Mechanically mixed and electrostatic sprayed RDX/NC/AP/Al composite explosive using nitrocellulost （NC） as binder， ammonium perchlorate （AP） as oxidant， cyclotrimethyltrnitramine （RDX） and nano aluminum powder （Al） as combustion agent were prepared based on zero oxygen balance. The morphology， structure， thermal properties， combustion process and mechanical sensitivity of the different samples were analyzed by the scanning electron microscopy （SEM）， the Fourier transform infrared spectroscopy（FT-IR）， thermogravimetric differential scanning calorimeter （TG-DSC）， mechanical sensitivity and high-speed photography. The component（NC， RDX， AP and Al） in RDX/NC/AP/Al composite explosives obtained by both method are physical composite. However， the microstructure of mechanically mixed RDX/NC/AP/Al demonstrated in spheres and the electrostatic sprayed samples are microspheres. The mass loss process of RDX/NC/AP/Al composite explosive obtained by two methods contained two stages （200-210 ℃ and 250-350 ℃）. The first stage is the decomposition of part of RDX and AP， while the second stage is the decomposition of the remaining RDX and NC. Compared with the mechanical mixed samples， the activation energy and the critical temperature of thermal explosion of electrostatic sprayed RDX/NC/AP/Al increased by 41.25 kJ·mol^-1 and 4.09 K， respectively. Besides， the mechanical sensitivity is reduced， and the combustion rate is also improved.

Abstract:To solve the problems of igniting difficulty and combustion agglomeration， modification of Al powder by alloying and oxidant coating was studied. AP@Al/Ni composite fuels were prepared by acoustic resonance mixing technique. The heats of reaction of the composite fuels with different ammonium perchlorate （AP） contents were measured using a bomb calorimeter. The morphology characteristics of the optimized AP@Al/Ni composite fuel were analyzed by SEM. The thermal reactivity of AP， Al/AP mixture， Ni/AP mixture， and AP@Al/Ni composite fuel were comparatively studied by DSC/TG. The effects of additives including Al， Ni， and Al/Ni composite on the thermal decomposition kinetic parameters of AP were evaluated by the non-isothermal kinetic method. The results show that the heat of reaction of the composite fuel reaches its maximum when the mass content of AP is 38.90%， which is considered as the optimal content of AP in the formula. Compared with Al and Ni， the Al/Ni composite has the most significant influence on the thermal decomposition of AP， which reduces the peak temperature of AP in high temperature decomposition by 76.9 ℃ and increases the heat release by 84.8%. The apparent activation energy of AP decomposition in AP@Al/Ni composite fuel that obtained by Friedman method is 103.9 kJ·mol^-1， and this process obeys the three-dimensional random nucleation and nucleus growth （A3） model.

Abstract:In order to establish a precise combustion heat measurement system and method suitable for energetic materials， a method and device for measuring the heat of combustion of energetic materials with tiny doses has been developed. This device is based on the thermal principle of differential heat flux and uses a three-dimensional thermopile consisting of 960 pairs of thermocouples as the core measuring element. The device was calibrated by using standard material benzoic acid. The heat of combustion of six typical energetic materials， including cyclotetramethylene tetranitramine， hexanitrohexaazaisowurtzitane， cyclotrimethylene trinitramine， 3，4-bis（3-nitrofurazan-4-yl）furoxan， 1，1-diamino-2，2-dinitroethylene and nitroguanidine， was measured by this device. The results show that the calorimetric coefficient of the instrument is （64.804±0.071） μV·mW^-1 and the corresponding relative uncertainty is 0.109%. The solid-phase standard molar heats of combustion （Δ_cU） of these six energetic materials at 298.15 K are -（2749.1±4.5）， -（3593.6±6.0）， -（2115.2±3.4）， -（3040.8±4.8）， -（1211.4±2.3） and -（898.4±2.0） kJ·mol^-1， respectively. The measurement results are in good agreement with the values reported in the literature， indicating that the developed small-mass combustion measurement device can be widely used in the determination of the energy of combustion of substances containing C， H， O， and N， especially precious samples and explosive substances.

Abstract:4H-［1，2，3］Triazolo［4，5-c］［1，2，5］oxadiazole 5-oxide （TODO）hydroxylamine salts and TODO amine salts were synthesized via nitration， cyclization and salt-forming reaction using 3，4-diaminofuran. At the same time， an energetic eutectic（HATODO/ATODO cocrystal） was synthesized by TODO hydroxylamine salts（NH₃OH⁺C₂H₅O^-）and TODO amine salts（NH₄⁺C₂H₅O^-）as raw materials. Its structure was characterized by SXRD，FT-IR and NMR， and the thermal decomposition was studied by TG-DSC. The mechanical sensitivities were tested according to the GJB772A-97 method and the detonation performance was calculated. Results show that the structure of the HATODO/ATODO cocrystal belongs to the monoclinic crystal system， the P2₁/c space group， a=8.5202（3） Å， b=10.3870（4） Å，c=13.4481（4）Å， α=90°， β=102.0510（10）， γ=90°， V=1163.92（7） ų， Z=4.TODO hydroxylamine salts initial decomposition temperature is about 147.9 ℃， TODO amine salts initial decomposition temperature was about 181.3 ℃， whereas the initial decomposition temperature of energetic HATODO/ATODO cocrystal is about 151.2 ℃. The sensitivities of HATODO/ATODO cocrystal is comparable to ADN. The calculated detonation velocity and pressure of HATODO/ATODO cocrystal is 8462 m·s^-1 and 32.07 GPa.

Abstract:The agglomeration of condensed phase during the combustion process of propellant is one of the main reasons for energy loss and nozzle ablation， and the introduction of fluorine into propellant is considered to be an effective way to solve the agglomeration. In order to solve the condensed phase agglomeration of aluminum， a fluoroalcohol compound was introduced into the traditional HTPE propellant， and it was integrated into the binder cross-linked network through the curing reaction to form a solid propellant based on a novel fluorocarbon binder. Thermogravimetric （TG） and laser ignition were used to characterize the thermal decomposition and the burning intensity of the propellant. The combustion surface flame morphology and particle size distribution of combustion condensed phase products were characterized by scanning electron microscope （SEM） and EDS. The results show that the weight loss of the propellant after adding PFD still includes three main stages， but PFD will cause the decomposition of RDX in the propellant to be delayed by 15-20 ℃.Moreover， the fluorine-containing segment will completely decompose and lose weight before 250 ℃. Compared with the blank propellant sample， the propellant containing PFD has higher burning brightness at the same ignition time. With the increase of PFD， the intensity of the combustion flame of the propellant sample increases significantly， and the flame jet is more intense. The average particle size of condensed phase products decreased gradually from 5.13 μm （1%PFD） to 1.04 μm（5%PFD）.

Abstract:In order to develop a micro-scale booster for Micro Electro-Mechanical Systems （MEMS） pyrotechnics with excellent mechanical properties. A fully soluble explosive ink was designed with hexanitrohexaazaisowurtzitane （CL-20） as the main explosive， hydroxyl terminated polyether （HTPE）/ nitrocellulose （NC） as the bonding system， ethyl acetate as the co-solvent， and a certain amount of toluene diisocyanate （TDI）. Inkjet printing technology was used to achieve high-precision charge molding， and the cross-linking reaction of isocyanate and hydroxyl group was used to enhance the mechanical properties of micro charge. The density， micro morphology， thermal stability， crystal form and mechanical properties of the samples were characterized by electron densitometer， scanning electron microscope， differential scanning calorimeter， X-ray diffraction and nanoindenter. The results show that the density of the printed sample is 1.70 g·cm^-3， which is 88.54% of the theoretical maximum density. The crystal form of CL-20 in the printed sample is determined by ε type change to β type. The apparent activation energy of thermal decomposition is 173.00 kJ·mol^-1， which is 13.17 kJ·mol^-1 higher than that of the raw material CL-20. The nanoindentation test results show that the elastic modulus of the printed sample is 10.47 GPa and the hardness is 0.22 GPa， showing good mechanical properties. Inkjet printing charge has good detonation transmission ability， and the critical detonation size and detonation velocity are 1 mm×0.18 mm and 8054 m·s^-1， respectively.

Abstract:In order to explore the effects of structure on combustion performance of aluminum/polytetrafluoroethylene （Al/PTFE）-based reactive materials and improve combustion performance of fluorine-based thermite， additive manufacturing technology （3D printing） was utilized to prepare Al/PTFE-based reactive materials with solid， hollow， core-shell， and confined hollow structures， as well as Al/CuO-based and Al/Fe₂O₃-based reactive materials with confined hollow structures. The microstructure， thermal performance， combustion rate， and gas production performance were assessed by scanning electron microscope （SEM）， differential scanning calorimetry （DSC）， high speed camera， and constant volume combustion chamber. The results show that each sample exhibits intact structure and uniform components. Under the circumstance of same mass， the samples with core-shell and confined hollow structures display lower heat release than that of samples with solid and hollow structures. The burning rate of samples with hollow， core-shell， and confined hollow structures is 1.44， 1.32， and 2.62 times higher than that of samples with solid structure， respectively. Obvious improvement in gas production performance and pressurization rate appears for samples with hollow and confined hollow structures， especially for samples with confined hollow structure. The burning rate of Al/PTFE， Al/CuO， and Al/Fe₂O₃ materials with confined hollow structure is significantly higher than that of corresponding samples with solid structure， particularly for Al/Fe₂O₃ materials. The approach to regulate combustion performance of lines by preparing materials with hollow structure is expected to provide a novel idea for designing new high-performance weapons.

Abstract:The production and processing of pyrotechnics produce aniline wastewater， which causes a great pollution to the environment. To provide an efficient strain resource for aniline degradation， a strain Q6 with aniline as the only carbon source and energy growth was isolated from the activated sludge in the aerobic aeration tank of the chemical wastewater treatment plant. Through morphological observation， physiological and biochemical characteristics and 16S rDNA gene sequence phylogeny analysis， the strain was identified as Acidovorax sp. The effects of inoculum amount， temperature， pH value and additional carbon and nitrogen sources on aniline degradation by strain Q6 were studied. Meanwhile， the degradation kinetics of aniline at different initial concentrations and the growth kinetics of strain Q6 were fitted. The results showed that under the conditions of temperature 23-37 ℃ and pH 5-8， strain Q6 could degrade aniline efficiently， and ammonium chloride was the best co-metabolizing nitrogen source to promote the degradation of aniline.The optimum conditions of 33 ℃， pH 7 and inoculation amount of 10%， the degradation rate of aniline at different initial concentrations （200-3000 mg·L^-1） was above 95.0%， and the degradation process of aniline showed first-order and zero-order kinetics. The growth process of Q6 conformed to the Haldane equation with a maximum specific growth rate μ_max of 0.130 h^-1， a half-satiation constant K_s of 190 mg·L^-1 and the inhibition constant K_i of 8497 mg·L^-1. The results show that strain Q6 has unique potential in the treating industrial wastewater containing high concentration of aniline.

Abstract:The special polycylic cage structure of the typical third-generation energy-containing material hexanitrohexaazoisowoodsane （CL-20） makes its production process accompanied by high concentration of organic solvents， which has large biological toxicity. In order to solve the serious pollution emission caused by CL-20 production. A combined internal electrolysis-alkaline hydrolysis-biodegradation process was proposed. Firstly， nitro compounds were reduced by zero-valent. Ethyl acetate and chloroform could be decomposed to small molecular organic acids by alkaline hydrolysis. Then， organic pollutants in wastewater were removed by anaerobic-aerobic biological combination process. The results indicated that CL-20 in the wastewater was thoroughly removed at the optimal reaction pH of 2. For alkaline hydrolysis process， the optimal pH value and treatment time was found to be 11.0 and 4 h， respectively. The removal efficiencies of ethyl acetate and chloroform reached （99.4±0.1）% and （95.4±0.9）%， respectively. Biodegradability could be improved by internal electrolysis-alkaline hydrolysis pretreatment. The chemical oxygen demand （COD） in effluent could be as low as 300 mg·L^-1 during the integrated biological process of upflow anaerobic sludge reactor （UASB） and biological aerated filter （BAF）. The combined internal electrolysis-alkaline hydrolysis-biodegradation process offers bright prospects for the treatment of wastewater from the manufacture of CL-20.

Abstract:The new challenge to the existing coating layer process was put forward by the development of solid rocket motor technology. In recent years， thermosetting resin as the matrix was used， combined with continuous automatic coating technology， the popular coating production method of coating layer lies in whether complete molding and excellent performance can be obtained quickly. The flow properties and casting condition of unsaturated polyester （UPR） coating layer were studied. The chemical rheological model of the UPR coating layer during continuous automatic manufacturing is obtained by introducing exponential function based on Kinua-Fontana model. The functional relationship of viscosity versus time and temperature of cured UPR is established. The suitable temperature for casting operation was obtained. The filling volume fraction distribution， flow rate distribution and weld line position of coating layer were predicted by introducing of POLYFLOW simulation software， which the constitutive equations is established on the base of Bird-Carrea power-law equation. The casting process was simulated at the constant rate and pressure， respectively. The results show that the casting temperature is below 35 ℃， the casting pressure is more than 1 MPa， and the inlet flow rate is more than 150 mm³·s^-1 and less than 175 mm³·s^-1 in the coating layer casting process.

Abstract:To study the rheological properties and to cure the reaction process of branched polyglycidyl azide （B-GAP）-based propellent， the slurries were tested by rheological research methods， and the changes of viscosity with shear rate and modulus with time at 50， 55， 60 ℃ and 65 ℃ were studied. The results indicate： B-GAP propellant slurry has a shear thinning properties and belongs to pseudoplastic non-Newtonian fluid； The curing reaction rate of the propellant slurry increases as the curing reaction progresses， reaching a maximum value when the curing degree is 0.3， and then the reaction rate begins to decrease until zero； Temperature has a great influence on the kinetics of propellant curing reaction. Within a certain temperature range， the peak value of the curing reaction rate increases with the increase of temperature， and the maximum value of storage modulus decreases with the increase of temperature； Based on the power law equation and Arrhenius equation， the constitutive equation and curing kinetic reaction equation of B-GAP slurry was obtained.

Abstract:In order to evaluate the output energy characteristics of the ignition cap， it was proposed to conduct the ignition cap firing test in an open burster container and use a high-speed mid-wave infrared thermal imager to capture the whole process of the ignition cap firing. Since it was difficult to measure the output flame temperature of ignition cap， the drop weight instrument was used to give the corresponding initial firing energy of ignition cap. At the same time， the infrared thermal imager was triggered to collect flame information. The experimental data and infrared images of ignition cap under three test conditions of normal（25 ℃）， heated（50 ℃） and frozen（-49 ℃） temperature were processed. The results show that the output flame maximum temperature can reach up to 1204 ℃， and the flame duration is about 3-4 ms. The whole process of the flame with time can be divided into four stages： firing， diffusion， forming and dissipation， and the temperature in the top and bottom area of flame is much higher than in other areas. Through calculation and software correction， the measurement error of this test is below 6.6%， which can prove the reliability of the method and provide a new way for evaluating the output energy characteristics of ignition cap.

Abstract:The design efficiency of energetic compounds depends on many factors， such as the proportion of potential high performance samples in the screening space and the accurate prediction method of key properties. In this study， we proposed a scheme to improve the overall performance of virtual screening space by pre-screening molecular skeletons， and a method combining high-throughput computing and deep learning is applied to the design of energetic compounds. It was found that there is a moderate positive correlation between crystal density molecular skeleton density of energetic molecules， and the overall density of virtual screening space can be effectively improved by pre-screening high-density molecular skeletons. Based on the density data-set of energetic crystals collected from the crystallography database CCDC， a new density prediction model of energetic crystals was obtained via deep learning， with reliable accuracy and generalization. We took fused-ring energetic molecules as the research object， obtained high-density fused-ring skeletons through skeleton pre-screening， and then the virtual screening space composed of potential high-density molecules was constructed through fragment docking. The formation enthalpy， detonation performance and chemical stability were predicted by quantum chemical calculation and the equation of state of detonation products. Finally， 6 novel energetic molecules with energy level better than RDX and stability better than TNT were selected by performance ranking. This study shows that the overall performance of virtual screening space can be effectively improved by pre-screening molecular skeletons， and on this basis， high-throughput computing and deep learning can be used to achieve efficient design of energetic molecules.