In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal agin...In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal aging tests.The reaction thresholds of aged RDX and HMX under any ignition probability were studied by Langlie-Optimal D method.The thermal decomposition characteristics of RDX and HMX after aging were analyzed by DSC and ARC.Experimental results showed that compared with unaged RDX and HMX,on the one hand,the critical impact energy and critical friction of RDX and HMX aged for 14,28,and 56 days are significantly reduced at an explosion probability of 50%,0.01%,and 0.0001%,respectively.With the increase of aging time,the mechanical sensitivity of RDX and HMX increases obviously.On the other hand,the initial decomposition temperature of RDX and HMX after 56 days of aging decreases,the decomposition heat decreases,the activation energy increases,and the reaction difficulty increases.展开更多
Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular...Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular perovskite-based material DAP-4 was studied.Biomass porous carbonaceous materials was considered as the micro/nano support layers for in situ deposition of Fe/N precursors.Fe/Np Carbon was prepared simply by the high-temperature carbonization method.It was found that it showed the inherent catalysis properties for thermal decomposition of DAP-4.The heat release of DAP-4/Fe/N-p Carbon by DSC curves tested had increased slightly,compared from DAP-4/Fe/N-p Carbon-0.The decomposition temperature peak of DAP-4 at the presence of Fe/N-p Carbon had reduced by 79°C from384.4°C(pure DAP-4) to 305.4°C(DAP-4/Fe/N-p Carbon-3).The apparent activation energy of DAP-4thermal decomposition also had decreased by 29.1 J/mol.The possible catalytic decomposition mechanism of DAP-4 with Fe/N-p Carbon was proposed.展开更多
2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigat...2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.展开更多
This work describes thermal decomposition behaviour of plastic bonded explosives(PBXs) based on mixture of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX) and 2,4,6-triamino-1,3,5-trinitrobenzene(TATB)with Viton A as poly...This work describes thermal decomposition behaviour of plastic bonded explosives(PBXs) based on mixture of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX) and 2,4,6-triamino-1,3,5-trinitrobenzene(TATB)with Viton A as polymer binder. Thermal decomposition of PBXs was undertaken by applying simultaneous thermal analysis(STA) and differential scanning calorimetry(DSC) to investigate influence of the HMX amount on thermal behavior and its kinetics. Thermogravimetric analysis(TGA) indicated that the thermal decomposition of PBXs based on mixture of HMX and TATB was occurred in a three-steps. The first step was mainly due to decomposition of HMX. The second step was ascribed due to decomposition of TATB, while the third step was occurred due to decomposition of the polymer matrices. The thermal decomposition % was increased with increasing HMX amount. The kinetics related to thermal decomposition were investigated under non-isothermal for a single heating rate measurement. The variation in the activation energy of PBXs based on mixture of HMX and TATB was observed with varying the HMX amount. The kinetics from the results of TGA data at various heating rates under non-isothermal conditions were also calculated by Flynn—Wall—Ozawa(FWO) and Kissinger-Akahira-Sunose(KAS)methods. The activation energies calculated by employing FWO method were very close to those obtained by KAS method. The mean activation energy calculated by FWO and KAS methods was also a good agreement with the activation energy obtained from single heating rate measurement in the first step decomposition.展开更多
The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparat...The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparatus,The kinetic parameters of the thermal decomposition reaction(the apparent activation energy(E,)and pre-exponential factor(A))were calcu-lated by non-isothermal DSC curves.The results show that the differential mlechanism function and values of E,and A of the ther-mal decomposition reaction of HNIW are 3(1-a)[-ln(1-a)]"·,155.04 kJ·mol^(-1)and 10""s^(-1),respectively.The critical tem-perature of thermal explosion of the title compound is 226.60℃.The entropy of activation(AS·),enthalpy of activation(AH·)and free energy of activation(AG·)of this reaction are 11.60J·mol·K^(-1),152.04 kJ·mol^(-1)and 146.29 kJ·mol^(-1),respec-tively.The equation of specific heat capacity of HNIW with temperature is C,=0.2472+0.002705992Tin the temperature range of 283 K to 343K.The values of self-accelerating decomposition temperature,adiabatic time-to-maximum decomposition rate and adiabatic time-to-explosion are 486.5K,54.81s and 54.31s,respectively.Thermal sensitivity probability density distribution curve of HNIW is constructed.展开更多
To study the thermal decomposition of Al/Zr H_(2)/PTFE with different Al particle size as well as mechanical strength and impact sensitivity under medium and low strain rates,molding-vacuum sintering was adopted to pr...To study the thermal decomposition of Al/Zr H_(2)/PTFE with different Al particle size as well as mechanical strength and impact sensitivity under medium and low strain rates,molding-vacuum sintering was adopted to prepare four groups of power materials and cylindrical specimens with different Al particle size.The active decomposition temperature of Zr H_(2) was obtained by TG-DSC,and the quasi-static mechanics/reaction characteristics as well as the impact sensitivity of the specimen were studied respectively by quasi-static compression and drop-hammer test.The results show that the yield strength of the material decreased with the increase of the Al particle size,while the compressive strength,failure strain and toughness increased first and then decreased,which reached the maximum values of 116.61 MPa,191%,and 119.9 MJ/m respectively when the Al particle size is 12-14 mm because of particle size grading.The specimens with the highest strength and toughness formed circumferential open cracks and reacted partly when pressed.Those with developmental cracks formed inside did not react.It is considered that fracture of specimens first triggered initial reaction between Al and PTFE to release an amount of heat.Then ZrH_(2) was activated and decomposed,and participated in subsequent reaction to generate Zr C.The impact sensitivity of the specimens decreased with the increase of Al particle size.展开更多
The thermal decomposition process of basic magnesium carbonate was investigated. Firstly, Basic magnesium carbonate was prepared from magnesite, and the characteristics of the product were detected by X-ray diffracti...The thermal decomposition process of basic magnesium carbonate was investigated. Firstly, Basic magnesium carbonate was prepared from magnesite, and the characteristics of the product were detected by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. Subsequently, the thermal decomposition process of basic magnesium carbonate in air was studied by thermogravimetry-differential thermogravimetry （TG-DTG）. The results of XRD confirm that the chemical composition of basic magnesium carbonate is 4MgCO3·Mg（OH）2·4H2O. And the SEM images show that the sample is in sheet structure, with a diameter of 0.1-1 μm. The TG-DTG results demonstrate that there are two steps in the thermal decomposition process of basic magnesium carbonate. The apparent activation energies （E） were calculated by Flyrm-Wall-Ozawa method. It is obtained from Coats-Redfem＇s equation and Malek method that the mechanism functions of the two decomposition stages are D3 and A1.5, respectively. And then, the kinetic equations of the two steps were deduced as well.展开更多
As a main oxidizer in solid composite propellants,ammonium perchlorate(AP)plays an important role because its thermal decomposition behavior has a direct influence on the characteristic of solid composite propellants....As a main oxidizer in solid composite propellants,ammonium perchlorate(AP)plays an important role because its thermal decomposition behavior has a direct influence on the characteristic of solid composite propellants.To improve the performance of solid composite propellant,it is necessary to take measures to modify the thermal decomposition behavior of AP.In recent years,transition metal oxides and carbon-supported transition metal oxides have drawn considerable attention due to their extraordinary catalytic activity.In this review,we highlight strategies to enhance the thermal decomposition of AP by tuning morphology,varying the types of metal ion,and coupling with carbon analogue.The enhanced catalytic performance can be ascribed to synergistic effect,increased surface area,more exposed active sites,and accelerated electron transportation and so on.The mechanism of AP decomposition mixed with catalyst has also been briefly summarized.Finally,a conclusive outlook and possible research directions are suggested to address challenges such as lacking practical application in actual formulation of solid composite propellant and batch manufacturing.展开更多
Improving the thermal decomposition performance of hexanitrohexaazaisowurtzitane(CL-20)by appropriate methods is helpful to promote the combustion performance of CL-20-based solid propellants.In this study,we synthesi...Improving the thermal decomposition performance of hexanitrohexaazaisowurtzitane(CL-20)by appropriate methods is helpful to promote the combustion performance of CL-20-based solid propellants.In this study,we synthesized a sandwich structure of CL-20 and nanoporous carbon scaffolds film(NCS)and emphatically studied the thermal decomposition performance of the composite structure.Thermogravimetric analysis and differential scanning calorimetry were used to measure the thermal decomposition process of the composite structure.The kinetic parameters of thermal decomposition were calculated by the thermal dynamic analysis software AKTS.These results showed that the thermal decomposition performance of the sandwich structure of CL-20 and NCS was better than CL-20.Among the tested samples,NCS with a pore size of 15 nm had the best catalytic activity for the thermal decomposition of CL-20.Moreover,the thermal decomposition curve of the composite structure at the heating rate of 1 K/min was deconvoluted by mathematical method to study the thermal decomposition process.And a possible catalytic mechanism was proposed.The excellent thermal decomposition performance is due to the sandwich structure enhances the interface reaction of CL-20 and NCS.This work may promote the extensive use of CL-20 in the field of solid rocket propellant.展开更多
In order to provide references for selecting highly efficient red mud flocculants, the behaviour of polyacrylamidomethyltrimethyl ammonium chloride （PATAC） in red mud separation process was investigated. PATAC was e...In order to provide references for selecting highly efficient red mud flocculants, the behaviour of polyacrylamidomethyltrimethyl ammonium chloride （PATAC） in red mud separation process was investigated. PATAC was employed as a flocculant for red mud separation from the caustic aluminate liquor at 95 ℃. The used red mud was generated from Chinese diaspore bauxite in Bayer process of alumina production. And the changes of PATAC before or after being treated in caustic solution at 95 ℃ were studied by thermogravimetry （TG） and Fourier transform infrared （FTIR） spectral analysis. The results show that PATAC fails in effectively focculating red mud and PATAC is readily converted to a quaternary ammonium hydroxide （PATAH） in caustic solution. PATAH can be decomposed to a new polymer （HPATAH） even at 95 ℃. Furthermore, there is an intramolecular hydrogen bond formed in the HPATAH polymer chain with two functional groups of--CH2--OH and --CONH2. Therefore, the poor flocculation property of PATAC for red mud separation can be attributed to the thermal decomposition of PATAC in the caustic red mud slurry at 95 ℃ and the formation of intramolecular hydrogen bond in the polymer chain of HPATAH during the thermal decomposition, which causes the absorbable functional groups of PATAC to decrease greatly.展开更多
Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the the...Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the thermal decomposition of ammonium perchlorate(NH_(4)ClO_(4),AP)-based energetic molecular perovskites(AP-based energetic molecular perovskites).The morphology and structure of the MgCo_(2)O_(4) nanosheets were characterized.And their catalytic effect on the thermal decomposition of AP-based energetic molecular perovskites(H_2pz)[NH_(4)(ClO_(4))_(3)](PAP-4),(H_2dabco)[NH_(4)(ClO_(4))_(3)](DAP-4),(H_2mpz)[NH_(4)(ClO_(4))_(3)](PAP-M_(4)),and (H_2hpz)[NH_(4)(ClO_(4))_(3)](PAP-H_(4)) was analyzed.The results showed that MgCo_(2)O_(4) nanosheets had excellent intrinsically catalytic performance towards enhancing the thermal decomposition of AP-based energetic molecular perovskites.After adding MgCo_(2)O_(4) nanosheets,the thermal decomposition peak temperatures of PAP-4,DAP-4,PAP-M_(4),and PAP-H_(4) had been reduced by35.7℃,48.4℃,37.9℃,and 43.6℃,respectively.And the activation energy(Ea)of the thermal decomposition of AP-based energetic molecular perovskites had been reduced,the Eaof PAP-H_(4) decreased by 46.4 kJ/mol at most among them.The catalytic mechanism of MgCo_(2)O_(4) nanosheets for AP-based energetic molecular perovskites is analyzed.This work provides a reference for the future application of AP-based energetic molecular perovskites.展开更多
To improve the performance of solid composite propellants(SCPs)supplemented with ammonium nitrate(AN)as an oxidizer,the incorporation of energetic ingredients such as explosives,energetic binders or catalysts is a com...To improve the performance of solid composite propellants(SCPs)supplemented with ammonium nitrate(AN)as an oxidizer,the incorporation of energetic ingredients such as explosives,energetic binders or catalysts is a common effective approach.For this purpose,polyurethane(PU),a typical inert binder,was mixed with nitrocellulose(NC)as an energetic polymer.Numerous composite solid propellant compositions based on AN and NC-modified polyurethane binder with different NC ratios were prepared.The prepared formulations were characterized using Fourier transform infrared spectroscopy(FTIR),RAMAN spectroscopy,X-ray diffraction(XRD),electron densimetry,thermogravimetric(TG)analysis,and differential scanning calorimetry(DSC).A kinetic study was then performed using the iterative KissingerAkahira-Sunose(It-KAS),Flynn-Wall-Ozawa(It-FWO),and non-linear Vyazovkin integral with compensation effect(VYA/CE)methods.The theoretical performances,such as theoretical specific impulse,adiabatic flame temperature,and ideal exhaust gaseous species,were also determined using the NASA Lewis Code,Chemical Equilibrium with Application(CEA).Spectroscopic examinations revealed the existence of NC and full polymerization of PU in the prepared propellants.According to density tests,the density of the propellant increases as the nitrocellulose component increases.According to the thermal analysis and kinetics study,the increase in NC content catalyzed the thermal decomposition of the AN-based composite solid propellants.Based on the theoretical study,increasing the amount of NC in the propellant increased the specific impulse and,as a result,the overall performance.展开更多
A kind of phase change material(PCM)-based nanocomposite was prepared and added into high energy propellants containing RDX as additives to investigate its effect on thermal decomposition and burning characteristic of...A kind of phase change material(PCM)-based nanocomposite was prepared and added into high energy propellants containing RDX as additives to investigate its effect on thermal decomposition and burning characteristic of high energy propellants.The effect of PCM-based nanocomposites on thermal decomposition of high energy propellants is investigated by TG/DSC-FTIR-MS technology.Due to the delayed protection effect(PCM-based nanocomposites can absorb lots of heat at the range of certain temperature when it undergoes structure change or phase transitions)of PCM-based nanocomposites under the thermal decomposition condition,the thermal stability of high energy propellants modified with PCMbased nanocomposites is improved.At the same time,the concentration of N2,NO2,H2O and CO_(2)is increased during thermal decomposition of high energy propellants whereas NO and CO is decreased.The burning gaseous products and burning characteristic of high energy propellants are studied by the combination of closed bomb test and Fourier transform infrared spectrum.The main burning gaseous products are N2,CO_(2),CO,H2O,CH4,etc.After the high energy propellant modified with PCM-based nanocomposites,the concentration of CH4is increased while CO,CO_(2) and H2O is decreased under the high-pressure burning condition.The progressivity factor of high energy propellants is increased by22.2%compared with the control sample while the maximum pressure is merely decreased 1.25%after the addition of the PCM-based nanocomposite,thus PCM-based nanocomposites can be used to adjust the burning process and improve the burning progressivity of high energy propellants.This study is expected to boost the practical application of PCM-based nanocomposite to the propellant formulation and effectively control the burning characteristic of high energy propellants.展开更多
3,4-Dinitrofurazanfuroxan(DNTF),as a high-energy-density material,features good thermal stability and wide applications.This study aimed to elucidate the thermal decomposition mechanism of DNTF combined with nitrogen-...3,4-Dinitrofurazanfuroxan(DNTF),as a high-energy-density material,features good thermal stability and wide applications.This study aimed to elucidate the thermal decomposition mechanism of DNTF combined with nitrogen-rich compounds containing N-H.The thermal stabilities of DNTF and its hybrid systems were investigated using differential thermal analysis/thermogravimetry(TG),vacuum stability test,and accelerating rate calorimetry under isothermal,non-isothermal,and adiabatic conditions,respectively.Results showed that the thermal stability and thermal safety of DNTF significantly decreased after combining with nitrogen-rich compounds containing N-H.Calculation results showed that the activation energy of the DNTF hybrid systems was significantly lower than that of DNTF.The TGIR was used to monitor the generation of fugitive gases during the thermal decomposition of the DNTF/5-aminotetrazole(5-ATZ)hybrid.Moreover,the nitrogen-rich molecules containing N-H interacted extensively with DNTF,and this interaction accelerated the thermal degradation of DNTF.展开更多
The coupling effect of heat absorption and release exists in the thermal decomposition of a few chemical materials.However,the impact of the above coupling on thermal hazard assessment is not considered in the literat...The coupling effect of heat absorption and release exists in the thermal decomposition of a few chemical materials.However,the impact of the above coupling on thermal hazard assessment is not considered in the literature studies.In this work,nitroguanidine(NQ)and 1,3,5-trinitro-1,3,5-triazine(RDX)are selected as representative materials to explore the influence of the coupling effect on the thermal hazard assessment of chemical materials.The linear heating experiments of NQ and RDX are carried out by a microcalorimeter and synchronous thermal analyser.The thermal decomposition curves are decoupled by advanced thermokinetics software.The thermal decomposition and kinetic parameters before and after decoupling are calculated.The results of TG experiment show that both NQ and RDX began to lose mass during the endothermic stage.The endothermic melting and exothermic decomposition of NQ and RDX are coupled within this stage.The coupling effect has different degrees of influence on its initial decomposition temperature and safety parameters.Compared with the parameters in the coupling state,the initial decomposition temperature and adiabatic induction period after decoupling decrease.The self-accelerating decomposition temperature increases,and internal thermal runaway time decreases.In the thermal hazard assessment of chemical materials with coupling effects,the calculated parameters after decoupling should be taken as an important safety index。展开更多
Aluminum(Al)powder is widely used in solid propellants.In particular,nano-Al has attracted extensive scholarly attention in the field of energetic materials due to its higher reactivity than micro-Al.However,the exist...Aluminum(Al)powder is widely used in solid propellants.In particular,nano-Al has attracted extensive scholarly attention in the field of energetic materials due to its higher reactivity than micro-Al.However,the existence of aluminum oxide film on its surface reduces the heat release performance of the aluminum powder,which greatly limits its application.Hence,this paper used iron,a component of solid propellant,to coat micron-Al and nano-Al to improve the heat release efficiency and reactivity of Al powder.SEM,TEM,EDS,XRD,XPS,and BET were used to investigate the morphological structure and properties of pure Al and Fe/Al composite fuels of different sizes.The results show that Fe was uniformly coated on the surface of Al powder.There was no reaction between Fe and Al,and Fe/Al composite fuels had a larger specific surface area than pure Al,which could better improve the reactivity of pure Al.Besides,the catalytic effects of pure Al and Fe/Al composite fuels of different sizes on ammonium perchlorate and ammonium nitrate were explored.The results show that the catalysis of pure Al powder could be greatly improved by coating Fe on the surface of Al powder.Especially,the micron-Fe/Al composite fuel had a higher catalytic effect than the pure nano-Al powder.Hence,Fe/Al composite fuels are expected to be widely used in solid propellants.展开更多
Monodispersed MgO microspheres were successfully synthesized by a simple solvothermal method using PEG-400 as solvent. The samples were characterized by X-ray diffraction(XRD) and scanning electron microscopy(SEM). Th...Monodispersed MgO microspheres were successfully synthesized by a simple solvothermal method using PEG-400 as solvent. The samples were characterized by X-ray diffraction(XRD) and scanning electron microscopy(SEM). The results reveal that the precusor was monoclinic Mg5(CO3)4(OH)2·4H2O and composed of nanosheets with the thickness of about 250 nm. By calcining the precusor at 500 °C for 5 min, cubic MgO with similar morphology was obtained. According to the SEM images, it is found that the volume ratio of PEG-400 to deionized water is considered as a crucial factor in the evolution of the morphology. Based on the SEM images obtained under different experimental conditions, a possible growth mechanism which involves self-assembly process was proposed. The thermal decomposition process of MgO precusor was studied by thermogravimetry-differential thermogravimetry(TG-DTG) at different heating rates in air. Thermal analysis kinetics results show that the most probale mechanism models of MgO precusor are An and D3, respectively. In addition, isothermal prediction was studied to quantitatively characterize the thermal decomposition process.展开更多
The thermal decomposition temperature is one of the most important parameters to evaluate fire hazard of organic peroxide. A quantitative structure-property relationship model was proposed for estimating the thermal d...The thermal decomposition temperature is one of the most important parameters to evaluate fire hazard of organic peroxide. A quantitative structure-property relationship model was proposed for estimating the thermal decomposition temperatures of organic peroxides. The entire set of 38 organic peroxides was at random divided into a training set for model development and a prediction set for external model validation. The novel local molecular descriptors of AT1, AT2, AT3, AT4, AT5, AT6 and global molecular descriptor of ATC have been proposed in order to character organic peroxides’ molecular structures. An accurate quantitative structure-property relationship （QSPR） equation is developed for the thermal decomposition temperatures of organic peroxides. The statistical results showed that the QSPR model was obtained using the multiple linear regression （MLR） method with correlation coefficient （R）, standard deviation （S）, leave-one-out validation correlation coefficient （RCV） values of 0.9795, 6.5676 ℃ and 0.9328, respectively. The average absolute relative deviation （AARD） is only 3.86% for the experimental values. Model test by internal leave-one-out cross validation and external validation and molecular descriptor interpretation were discussed. Comparison with literature results demonstrated that novel local and global descriptors were useful molecular descriptors for predicting the thermal decomposition temperatures of organic peroxides.展开更多
To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying ...To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.展开更多
Composite microcrystals of the nitramines(NAs)viz.,RDX,HMX,BCHMX,and CL-20 with electrically conductive polyaniline(PANi)are a charge transfer complexes in coagglomerated composite crystals(CACs).The activation energi...Composite microcrystals of the nitramines(NAs)viz.,RDX,HMX,BCHMX,and CL-20 with electrically conductive polyaniline(PANi)are a charge transfer complexes in coagglomerated composite crystals(CACs).The activation energies of thermolysis,E_(a),of the pure NAs and their PANi-CACs were determined using the Kissinger method,and decomposition processes are discussed.Except for the RDX/PANi CACs,all the other CACs show higher E_(a) values for decomposition compared to their pure NA counterparts.For all CACs,relationships are specified between the E_(a) values,on the one hand,and the squares of the detonation velocities,enthalpies of formation,spark energy and impact sensitivities,on the other.The relationships between their low-temperature heats of decomposition,ΔH,from DSC,and their enthalpy of formation,logarithm of impact sensitivity,electric spark energy,as well as detonation energy,are described.The PANi favorably influences the density of the corresponding CACs;surprisingly close linear correlations were found,and explained,between these densities and the E_(a) values.This presence of PANi strongly increased the electrical spark sensitivity of the CACs in comparison to the base NAs.Based on the results obtained,it can be noted in particular the exceptional desensitization of HMX to impact and the increased sensitivity to electrical spark by coating its crystals with polyaniline.展开更多
基金supported by the National Key Laboratory of Energetic Materials, China (Grant No. 2023-LB-036-09).
文摘In order to analyze the influences of storage aging on the safety of typical elemental explosives,the aged cyclotrimethylene trinitramine(RDX)and cyclotetramethylene tetranitramine(HMX)were prepared by isothermal aging tests.The reaction thresholds of aged RDX and HMX under any ignition probability were studied by Langlie-Optimal D method.The thermal decomposition characteristics of RDX and HMX after aging were analyzed by DSC and ARC.Experimental results showed that compared with unaged RDX and HMX,on the one hand,the critical impact energy and critical friction of RDX and HMX aged for 14,28,and 56 days are significantly reduced at an explosion probability of 50%,0.01%,and 0.0001%,respectively.With the increase of aging time,the mechanical sensitivity of RDX and HMX increases obviously.On the other hand,the initial decomposition temperature of RDX and HMX after 56 days of aging decreases,the decomposition heat decreases,the activation energy increases,and the reaction difficulty increases.
基金National Natural Science Foundation of China(Grant No.21975227)the Found of National defence Science and Technology Key Laboratory (Grant No.6142602210306)。
文摘Fe/N-based biomass porous carbon composite(Fe/N-p Carbon) was prepared by a facile high-temperature carbonization method from biomass,and the effect of Fe/N-p Carbon on the thermal decomposition of energetic molecular perovskite-based material DAP-4 was studied.Biomass porous carbonaceous materials was considered as the micro/nano support layers for in situ deposition of Fe/N precursors.Fe/Np Carbon was prepared simply by the high-temperature carbonization method.It was found that it showed the inherent catalysis properties for thermal decomposition of DAP-4.The heat release of DAP-4/Fe/N-p Carbon by DSC curves tested had increased slightly,compared from DAP-4/Fe/N-p Carbon-0.The decomposition temperature peak of DAP-4 at the presence of Fe/N-p Carbon had reduced by 79°C from384.4°C(pure DAP-4) to 305.4°C(DAP-4/Fe/N-p Carbon-3).The apparent activation energy of DAP-4thermal decomposition also had decreased by 29.1 J/mol.The possible catalytic decomposition mechanism of DAP-4 with Fe/N-p Carbon was proposed.
基金funded by the National Natural Science Foundation of China(Grant No.21975024)。
文摘2,6-bis(picrylamino)-3,5-dinitropyridine(PYX)has excellent thermostability,which makes its thermal decomposition mechanism receive much attention.In this paper,the mechanism of PYX thermal decomposition was investigated thoroughly by the ReaxFF-lg force field combined with DFT-B3LYP(6-311++G)method.The detailed decomposition mechanism,small-molecule product evolution,and cluster evolution of PYX were mainly analyzed.In the initial stage of decomposition,the intramolecular hydrogen transfer reaction and the formation of dimerized clusters are earlier than the denitration reaction.With the progress of the reaction,one side of the bitter amino group is removed from the pyridine ring,and then the pyridine ring is cleaved.The final products produced in the thermal decomposition process are CO_(2),H_(2)O,N_(2),and H_(2).Among them,H_(2)O has the earliest generation time,and the reaction rate constant(k_(3))is the largest.Many clusters are formed during the decomposition of PYX,and the formation,aggregation,and decomposition of these clusters are strongly affected by temperature.At low temperatures(2500 K-2750 K),many clusters are formed.At high temperatures(2750 K-3250 K),the clusters aggregate to form larger clusters.At 3500 K,the large clusters decompose and become small.In the late stage of the reaction,H and N in the clusters escaped almost entirely,but more O was trapped in the clusters,which affected the auto-oxidation process of PYX.PYX's initial decomposition activation energy(E_(a))was calculated to be 126.58 kJ/mol.This work contributes to a theoretical understanding of PYX's entire thermal decomposition process.
基金DRDO(TBR-1251)for funding and awarding the Project
文摘This work describes thermal decomposition behaviour of plastic bonded explosives(PBXs) based on mixture of 1,3,5,7-tetranitro-1,3,5,7-tetrazocane(HMX) and 2,4,6-triamino-1,3,5-trinitrobenzene(TATB)with Viton A as polymer binder. Thermal decomposition of PBXs was undertaken by applying simultaneous thermal analysis(STA) and differential scanning calorimetry(DSC) to investigate influence of the HMX amount on thermal behavior and its kinetics. Thermogravimetric analysis(TGA) indicated that the thermal decomposition of PBXs based on mixture of HMX and TATB was occurred in a three-steps. The first step was mainly due to decomposition of HMX. The second step was ascribed due to decomposition of TATB, while the third step was occurred due to decomposition of the polymer matrices. The thermal decomposition % was increased with increasing HMX amount. The kinetics related to thermal decomposition were investigated under non-isothermal for a single heating rate measurement. The variation in the activation energy of PBXs based on mixture of HMX and TATB was observed with varying the HMX amount. The kinetics from the results of TGA data at various heating rates under non-isothermal conditions were also calculated by Flynn—Wall—Ozawa(FWO) and Kissinger-Akahira-Sunose(KAS)methods. The activation energies calculated by employing FWO method were very close to those obtained by KAS method. The mean activation energy calculated by FWO and KAS methods was also a good agreement with the activation energy obtained from single heating rate measurement in the first step decomposition.
基金The National Nature Science Foundation of China(21173163)
文摘The thermal behavior,non-isothermal thermal decomposition reaction kinetics and specific heat capacity of hexanitro-hexaazaisowurtzitane(HNIW)were studied by differential scanning calorimeter(DSC)and Micro-DSCIapparatus,The kinetic parameters of the thermal decomposition reaction(the apparent activation energy(E,)and pre-exponential factor(A))were calcu-lated by non-isothermal DSC curves.The results show that the differential mlechanism function and values of E,and A of the ther-mal decomposition reaction of HNIW are 3(1-a)[-ln(1-a)]"·,155.04 kJ·mol^(-1)and 10""s^(-1),respectively.The critical tem-perature of thermal explosion of the title compound is 226.60℃.The entropy of activation(AS·),enthalpy of activation(AH·)and free energy of activation(AG·)of this reaction are 11.60J·mol·K^(-1),152.04 kJ·mol^(-1)and 146.29 kJ·mol^(-1),respec-tively.The equation of specific heat capacity of HNIW with temperature is C,=0.2472+0.002705992Tin the temperature range of 283 K to 343K.The values of self-accelerating decomposition temperature,adiabatic time-to-maximum decomposition rate and adiabatic time-to-explosion are 486.5K,54.81s and 54.31s,respectively.Thermal sensitivity probability density distribution curve of HNIW is constructed.
基金financial support from the National Natural Science Foundation of China(General Program.Grant No.51673213)the National Natural Science Foundation of China(Youth Science Foundation.Grant No.51803235)。
文摘To study the thermal decomposition of Al/Zr H_(2)/PTFE with different Al particle size as well as mechanical strength and impact sensitivity under medium and low strain rates,molding-vacuum sintering was adopted to prepare four groups of power materials and cylindrical specimens with different Al particle size.The active decomposition temperature of Zr H_(2) was obtained by TG-DSC,and the quasi-static mechanics/reaction characteristics as well as the impact sensitivity of the specimen were studied respectively by quasi-static compression and drop-hammer test.The results show that the yield strength of the material decreased with the increase of the Al particle size,while the compressive strength,failure strain and toughness increased first and then decreased,which reached the maximum values of 116.61 MPa,191%,and 119.9 MJ/m respectively when the Al particle size is 12-14 mm because of particle size grading.The specimens with the highest strength and toughness formed circumferential open cracks and reacted partly when pressed.Those with developmental cracks formed inside did not react.It is considered that fracture of specimens first triggered initial reaction between Al and PTFE to release an amount of heat.Then ZrH_(2) was activated and decomposed,and participated in subsequent reaction to generate Zr C.The impact sensitivity of the specimens decreased with the increase of Al particle size.
基金Project(20876160) supported by the National Natural Science Foundation of China
文摘The thermal decomposition process of basic magnesium carbonate was investigated. Firstly, Basic magnesium carbonate was prepared from magnesite, and the characteristics of the product were detected by X-ray diffraction （XRD） and scanning electron microscopy （SEM）. Subsequently, the thermal decomposition process of basic magnesium carbonate in air was studied by thermogravimetry-differential thermogravimetry （TG-DTG）. The results of XRD confirm that the chemical composition of basic magnesium carbonate is 4MgCO3·Mg（OH）2·4H2O. And the SEM images show that the sample is in sheet structure, with a diameter of 0.1-1 μm. The TG-DTG results demonstrate that there are two steps in the thermal decomposition process of basic magnesium carbonate. The apparent activation energies （E） were calculated by Flyrm-Wall-Ozawa method. It is obtained from Coats-Redfem＇s equation and Malek method that the mechanism functions of the two decomposition stages are D3 and A1.5, respectively. And then, the kinetic equations of the two steps were deduced as well.
基金This work was financially supported by the Science and Technology project of Jiangsu province(BN2015021,XZ-SZ201819).
文摘As a main oxidizer in solid composite propellants,ammonium perchlorate(AP)plays an important role because its thermal decomposition behavior has a direct influence on the characteristic of solid composite propellants.To improve the performance of solid composite propellant,it is necessary to take measures to modify the thermal decomposition behavior of AP.In recent years,transition metal oxides and carbon-supported transition metal oxides have drawn considerable attention due to their extraordinary catalytic activity.In this review,we highlight strategies to enhance the thermal decomposition of AP by tuning morphology,varying the types of metal ion,and coupling with carbon analogue.The enhanced catalytic performance can be ascribed to synergistic effect,increased surface area,more exposed active sites,and accelerated electron transportation and so on.The mechanism of AP decomposition mixed with catalyst has also been briefly summarized.Finally,a conclusive outlook and possible research directions are suggested to address challenges such as lacking practical application in actual formulation of solid composite propellant and batch manufacturing.
基金supported by the National Natural Science Foundation of China(No:21975227)the Shanxi Province Graduate Student Innovation Project(No:2020SY403)。
文摘Improving the thermal decomposition performance of hexanitrohexaazaisowurtzitane(CL-20)by appropriate methods is helpful to promote the combustion performance of CL-20-based solid propellants.In this study,we synthesized a sandwich structure of CL-20 and nanoporous carbon scaffolds film(NCS)and emphatically studied the thermal decomposition performance of the composite structure.Thermogravimetric analysis and differential scanning calorimetry were used to measure the thermal decomposition process of the composite structure.The kinetic parameters of thermal decomposition were calculated by the thermal dynamic analysis software AKTS.These results showed that the thermal decomposition performance of the sandwich structure of CL-20 and NCS was better than CL-20.Among the tested samples,NCS with a pore size of 15 nm had the best catalytic activity for the thermal decomposition of CL-20.Moreover,the thermal decomposition curve of the composite structure at the heating rate of 1 K/min was deconvoluted by mathematical method to study the thermal decomposition process.And a possible catalytic mechanism was proposed.The excellent thermal decomposition performance is due to the sandwich structure enhances the interface reaction of CL-20 and NCS.This work may promote the extensive use of CL-20 in the field of solid rocket propellant.
基金Project(2005CB623702) supported by the Major State Basic Research and Development Program of China
文摘In order to provide references for selecting highly efficient red mud flocculants, the behaviour of polyacrylamidomethyltrimethyl ammonium chloride （PATAC） in red mud separation process was investigated. PATAC was employed as a flocculant for red mud separation from the caustic aluminate liquor at 95 ℃. The used red mud was generated from Chinese diaspore bauxite in Bayer process of alumina production. And the changes of PATAC before or after being treated in caustic solution at 95 ℃ were studied by thermogravimetry （TG） and Fourier transform infrared （FTIR） spectral analysis. The results show that PATAC fails in effectively focculating red mud and PATAC is readily converted to a quaternary ammonium hydroxide （PATAH） in caustic solution. PATAH can be decomposed to a new polymer （HPATAH） even at 95 ℃. Furthermore, there is an intramolecular hydrogen bond formed in the HPATAH polymer chain with two functional groups of--CH2--OH and --CONH2. Therefore, the poor flocculation property of PATAC for red mud separation can be attributed to the thermal decomposition of PATAC in the caustic red mud slurry at 95 ℃ and the formation of intramolecular hydrogen bond in the polymer chain of HPATAH during the thermal decomposition, which causes the absorbable functional groups of PATAC to decrease greatly.
基金the National Natural Science Foundation of China(Grant No.21975227)the Found of National defence Sci&Tech Laboratory(Grant No.6142602210306)。
文摘Energetic molecular perovskites have attracted widespread attention in the fields of energy materials due to their high detonation performance.In this work,we reported the effect of MgCo_(2)O_(4) nanosheets on the thermal decomposition of ammonium perchlorate(NH_(4)ClO_(4),AP)-based energetic molecular perovskites(AP-based energetic molecular perovskites).The morphology and structure of the MgCo_(2)O_(4) nanosheets were characterized.And their catalytic effect on the thermal decomposition of AP-based energetic molecular perovskites(H_2pz)[NH_(4)(ClO_(4))_(3)](PAP-4),(H_2dabco)[NH_(4)(ClO_(4))_(3)](DAP-4),(H_2mpz)[NH_(4)(ClO_(4))_(3)](PAP-M_(4)),and (H_2hpz)[NH_(4)(ClO_(4))_(3)](PAP-H_(4)) was analyzed.The results showed that MgCo_(2)O_(4) nanosheets had excellent intrinsically catalytic performance towards enhancing the thermal decomposition of AP-based energetic molecular perovskites.After adding MgCo_(2)O_(4) nanosheets,the thermal decomposition peak temperatures of PAP-4,DAP-4,PAP-M_(4),and PAP-H_(4) had been reduced by35.7℃,48.4℃,37.9℃,and 43.6℃,respectively.And the activation energy(Ea)of the thermal decomposition of AP-based energetic molecular perovskites had been reduced,the Eaof PAP-H_(4) decreased by 46.4 kJ/mol at most among them.The catalytic mechanism of MgCo_(2)O_(4) nanosheets for AP-based energetic molecular perovskites is analyzed.This work provides a reference for the future application of AP-based energetic molecular perovskites.
文摘To improve the performance of solid composite propellants(SCPs)supplemented with ammonium nitrate(AN)as an oxidizer,the incorporation of energetic ingredients such as explosives,energetic binders or catalysts is a common effective approach.For this purpose,polyurethane(PU),a typical inert binder,was mixed with nitrocellulose(NC)as an energetic polymer.Numerous composite solid propellant compositions based on AN and NC-modified polyurethane binder with different NC ratios were prepared.The prepared formulations were characterized using Fourier transform infrared spectroscopy(FTIR),RAMAN spectroscopy,X-ray diffraction(XRD),electron densimetry,thermogravimetric(TG)analysis,and differential scanning calorimetry(DSC).A kinetic study was then performed using the iterative KissingerAkahira-Sunose(It-KAS),Flynn-Wall-Ozawa(It-FWO),and non-linear Vyazovkin integral with compensation effect(VYA/CE)methods.The theoretical performances,such as theoretical specific impulse,adiabatic flame temperature,and ideal exhaust gaseous species,were also determined using the NASA Lewis Code,Chemical Equilibrium with Application(CEA).Spectroscopic examinations revealed the existence of NC and full polymerization of PU in the prepared propellants.According to density tests,the density of the propellant increases as the nitrocellulose component increases.According to the thermal analysis and kinetics study,the increase in NC content catalyzed the thermal decomposition of the AN-based composite solid propellants.Based on the theoretical study,increasing the amount of NC in the propellant increased the specific impulse and,as a result,the overall performance.
基金the National Natural Science Foundation of China(Grant No.22075146)to provide fund for conducting experiments。
文摘A kind of phase change material(PCM)-based nanocomposite was prepared and added into high energy propellants containing RDX as additives to investigate its effect on thermal decomposition and burning characteristic of high energy propellants.The effect of PCM-based nanocomposites on thermal decomposition of high energy propellants is investigated by TG/DSC-FTIR-MS technology.Due to the delayed protection effect(PCM-based nanocomposites can absorb lots of heat at the range of certain temperature when it undergoes structure change or phase transitions)of PCM-based nanocomposites under the thermal decomposition condition,the thermal stability of high energy propellants modified with PCMbased nanocomposites is improved.At the same time,the concentration of N2,NO2,H2O and CO_(2)is increased during thermal decomposition of high energy propellants whereas NO and CO is decreased.The burning gaseous products and burning characteristic of high energy propellants are studied by the combination of closed bomb test and Fourier transform infrared spectrum.The main burning gaseous products are N2,CO_(2),CO,H2O,CH4,etc.After the high energy propellant modified with PCM-based nanocomposites,the concentration of CH4is increased while CO,CO_(2) and H2O is decreased under the high-pressure burning condition.The progressivity factor of high energy propellants is increased by22.2%compared with the control sample while the maximum pressure is merely decreased 1.25%after the addition of the PCM-based nanocomposite,thus PCM-based nanocomposites can be used to adjust the burning process and improve the burning progressivity of high energy propellants.This study is expected to boost the practical application of PCM-based nanocomposite to the propellant formulation and effectively control the burning characteristic of high energy propellants.
基金the financially sponsor of the Natural Science Foundation of China(Grant No.51972278)the Outstanding Youth Science and Technology Talents Program of Sichuan(Grant No.19JCQN0085)the Open Project of State Key Laboratory of Environment-friendly Energy Materials(Southwest University of Science and Technology,Grant No.21fksy19)。
文摘3,4-Dinitrofurazanfuroxan(DNTF),as a high-energy-density material,features good thermal stability and wide applications.This study aimed to elucidate the thermal decomposition mechanism of DNTF combined with nitrogen-rich compounds containing N-H.The thermal stabilities of DNTF and its hybrid systems were investigated using differential thermal analysis/thermogravimetry(TG),vacuum stability test,and accelerating rate calorimetry under isothermal,non-isothermal,and adiabatic conditions,respectively.Results showed that the thermal stability and thermal safety of DNTF significantly decreased after combining with nitrogen-rich compounds containing N-H.Calculation results showed that the activation energy of the DNTF hybrid systems was significantly lower than that of DNTF.The TGIR was used to monitor the generation of fugitive gases during the thermal decomposition of the DNTF/5-aminotetrazole(5-ATZ)hybrid.Moreover,the nitrogen-rich molecules containing N-H interacted extensively with DNTF,and this interaction accelerated the thermal degradation of DNTF.
基金the project of the Open Research Fund Program of Science and Technology on Aerospace Chemical Power Laboratory(Grant No.STACPL320221B04)Key Laboratory of Explosion Science and Technology(Beijing Institute of Technology)The project number is ZDKT21-01.
文摘The coupling effect of heat absorption and release exists in the thermal decomposition of a few chemical materials.However,the impact of the above coupling on thermal hazard assessment is not considered in the literature studies.In this work,nitroguanidine(NQ)and 1,3,5-trinitro-1,3,5-triazine(RDX)are selected as representative materials to explore the influence of the coupling effect on the thermal hazard assessment of chemical materials.The linear heating experiments of NQ and RDX are carried out by a microcalorimeter and synchronous thermal analyser.The thermal decomposition curves are decoupled by advanced thermokinetics software.The thermal decomposition and kinetic parameters before and after decoupling are calculated.The results of TG experiment show that both NQ and RDX began to lose mass during the endothermic stage.The endothermic melting and exothermic decomposition of NQ and RDX are coupled within this stage.The coupling effect has different degrees of influence on its initial decomposition temperature and safety parameters.Compared with the parameters in the coupling state,the initial decomposition temperature and adiabatic induction period after decoupling decrease.The self-accelerating decomposition temperature increases,and internal thermal runaway time decreases.In the thermal hazard assessment of chemical materials with coupling effects,the calculated parameters after decoupling should be taken as an important safety index。
文摘Aluminum(Al)powder is widely used in solid propellants.In particular,nano-Al has attracted extensive scholarly attention in the field of energetic materials due to its higher reactivity than micro-Al.However,the existence of aluminum oxide film on its surface reduces the heat release performance of the aluminum powder,which greatly limits its application.Hence,this paper used iron,a component of solid propellant,to coat micron-Al and nano-Al to improve the heat release efficiency and reactivity of Al powder.SEM,TEM,EDS,XRD,XPS,and BET were used to investigate the morphological structure and properties of pure Al and Fe/Al composite fuels of different sizes.The results show that Fe was uniformly coated on the surface of Al powder.There was no reaction between Fe and Al,and Fe/Al composite fuels had a larger specific surface area than pure Al,which could better improve the reactivity of pure Al.Besides,the catalytic effects of pure Al and Fe/Al composite fuels of different sizes on ammonium perchlorate and ammonium nitrate were explored.The results show that the catalysis of pure Al powder could be greatly improved by coating Fe on the surface of Al powder.Especially,the micron-Fe/Al composite fuel had a higher catalytic effect than the pure nano-Al powder.Hence,Fe/Al composite fuels are expected to be widely used in solid propellants.
基金Project(CL11034)supported by the Training Program of Innovation and Entrepreneurship for Undergraduates of ChinaProject(CSUZC2013033)supported by the Open-End Fund for the Valuable and Precision Instruments of Central South University,ChinaProject(201210533003)supported by National Training Programs of Innovation and Entrepreneurship for Undergraduates,China
文摘Monodispersed MgO microspheres were successfully synthesized by a simple solvothermal method using PEG-400 as solvent. The samples were characterized by X-ray diffraction(XRD) and scanning electron microscopy(SEM). The results reveal that the precusor was monoclinic Mg5(CO3)4(OH)2·4H2O and composed of nanosheets with the thickness of about 250 nm. By calcining the precusor at 500 °C for 5 min, cubic MgO with similar morphology was obtained. According to the SEM images, it is found that the volume ratio of PEG-400 to deionized water is considered as a crucial factor in the evolution of the morphology. Based on the SEM images obtained under different experimental conditions, a possible growth mechanism which involves self-assembly process was proposed. The thermal decomposition process of MgO precusor was studied by thermogravimetry-differential thermogravimetry(TG-DTG) at different heating rates in air. Thermal analysis kinetics results show that the most probale mechanism models of MgO precusor are An and D3, respectively. In addition, isothermal prediction was studied to quantitatively characterize the thermal decomposition process.
基金Project(2015SK20823) supported by Science and Technology Project of Hunan Province,ChinaProject(15A001) supported by Scientific Research Fund of Hunan Provincial Education Department,China+2 种基金Project(2017CL06) supported by Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation,ChinaProject(k1403029-11) supported by Science and Technology Project of Changsha City,ChinaProject(CX2015B372) supported by the Hunan Provincial Innovation Foundation for Postgraduate,China
文摘The thermal decomposition temperature is one of the most important parameters to evaluate fire hazard of organic peroxide. A quantitative structure-property relationship model was proposed for estimating the thermal decomposition temperatures of organic peroxides. The entire set of 38 organic peroxides was at random divided into a training set for model development and a prediction set for external model validation. The novel local molecular descriptors of AT1, AT2, AT3, AT4, AT5, AT6 and global molecular descriptor of ATC have been proposed in order to character organic peroxides’ molecular structures. An accurate quantitative structure-property relationship （QSPR） equation is developed for the thermal decomposition temperatures of organic peroxides. The statistical results showed that the QSPR model was obtained using the multiple linear regression （MLR） method with correlation coefficient （R）, standard deviation （S）, leave-one-out validation correlation coefficient （RCV） values of 0.9795, 6.5676 ℃ and 0.9328, respectively. The average absolute relative deviation （AARD） is only 3.86% for the experimental values. Model test by internal leave-one-out cross validation and external validation and molecular descriptor interpretation were discussed. Comparison with literature results demonstrated that novel local and global descriptors were useful molecular descriptors for predicting the thermal decomposition temperatures of organic peroxides.
基金National Natural Science Foundation of China(No.22275150)。
文摘To study the influence of silicon(Si)on 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane(CL-20),NC/CL-20 composite explosives and Si/NC/CL-20 composite explosives were prepared by the electrostatic spraying method.The morphology,structure and thermal decomposition properties of the samples were analyzed using scanning electron microscopy(SEM),X-ray energy spectroscopy(EDS),infrared spectroscopy(FT-IR),and simultaneous thermal analyzer(TG-DSC).Additionally,the combustion process of the samples was tested using a high-speed camera.The results show that the addition of nano-Si contributes to the formation of composite explosives with regular morphology and smaller particle size.The Si/NC/CL-20 composite explosive has better and more uniform sphericity,with an average particle size of 73.4 nm,compared to the NC/CL-20 composite explosive.The Si/NC/CL-20 composite explosive which produced by the electrostatic spraying method,achieves physically uniform distribution of the components including NC,CL-20,Si.The addition of Si promotes the thermal decomposition of CL-20.In comparison to the NC/CL-20 composite explosive,the activation energy of the Si/NC/CL-20 composite explosive decreases by 16.78 kJ/mol,and the self-accelerated decomposition temperature and the critical temperature of thermal explosion decreases by 3.12 K and 2.61 K,respectively.Furthermore,Si/NC/CL-20 composite explosive has shorter ignition delay time and faster combustion rate compared to the NC/CL-20 composite explosive,which shows that Si can improve the combustion performance of CL-20.
基金funding from the Student Grant Project no.SGS_2022_003 of the Faculty of Chemical Technology at the University of Pardubice Czechia.
文摘Composite microcrystals of the nitramines(NAs)viz.,RDX,HMX,BCHMX,and CL-20 with electrically conductive polyaniline(PANi)are a charge transfer complexes in coagglomerated composite crystals(CACs).The activation energies of thermolysis,E_(a),of the pure NAs and their PANi-CACs were determined using the Kissinger method,and decomposition processes are discussed.Except for the RDX/PANi CACs,all the other CACs show higher E_(a) values for decomposition compared to their pure NA counterparts.For all CACs,relationships are specified between the E_(a) values,on the one hand,and the squares of the detonation velocities,enthalpies of formation,spark energy and impact sensitivities,on the other.The relationships between their low-temperature heats of decomposition,ΔH,from DSC,and their enthalpy of formation,logarithm of impact sensitivity,electric spark energy,as well as detonation energy,are described.The PANi favorably influences the density of the corresponding CACs;surprisingly close linear correlations were found,and explained,between these densities and the E_(a) values.This presence of PANi strongly increased the electrical spark sensitivity of the CACs in comparison to the base NAs.Based on the results obtained,it can be noted in particular the exceptional desensitization of HMX to impact and the increased sensitivity to electrical spark by coating its crystals with polyaniline.
