2,4-dinitroanisole(DNAN)is a good replacement for 2,4,6-trinitrotoluene(TNT)in melt-cast explosives due to its superior insensitivity.With the increasing use of DNAN-based melt-cast explosives,the prediction of reacti...2,4-dinitroanisole(DNAN)is a good replacement for 2,4,6-trinitrotoluene(TNT)in melt-cast explosives due to its superior insensitivity.With the increasing use of DNAN-based melt-cast explosives,the prediction of reaction violence and hazard assessment of the explosives subjected to shock is of great significance.This study investigated the shock initiation characteristics for a DNAN-based melt-cast explosive,DHFA,using the one-dimensional Lagrangian apparatus.The embedded manganin gauges in the apparatus record the pressure histories at four Lagrangian positions and show that shock-todetonation transition in DHFA needs a high input shock pressure.The experimental data are analyzed to calibrate the Ignition and Growth model.The calibration is performed using an objective function based on both pressure history and the arrival time of shock.Good agreement between experimental and calculated pressure histories indicates the high accuracy of the calibrated parameters with the optimization method.展开更多
In the present study, thermal hazards of TNT and DNAN used as the molten binder in TKX-50-based meltcast explosives were comparatively studied through accelerating rate calorimeter(ARC) and Cook-off experiments. Two k...In the present study, thermal hazards of TNT and DNAN used as the molten binder in TKX-50-based meltcast explosives were comparatively studied through accelerating rate calorimeter(ARC) and Cook-off experiments. Two kinds of ARC operation modes were performed to investigate the thermal safety performance under adiabatic conditions(HWS mode) and constant heating(CHR mode). The obtained results demonstrated that at both heating modes, DNAN/TKX-50 outperformed TNT/TKX-50 from the thermal safety point of view. However, the sensitivity to heat of the samples was reverse because of the different heating modes. In addition, the results of thermal hazard assessment obtained from the cookoff experiment complied with ARC analysis which indicated the molten binder TNT replaced by DNAN would reduce the hazard of the TKX-50 melt cast explosive. Furthermore, the results of cook-off experiments also showed that DNAN/TKX-50 outperformed TNT/TKX-50 from the aspect of thermal stability, which was consistent with the result of CHR mode because of the similar heating process.展开更多
This manuscript reports results of combined computational chemistry and batch adsorption investigation of insensitive munition compounds, 2,4-dinitroanisole（DNAN）, triaminotrinitrobenzene（TATB）, 1,1-diamino-2,2-di...This manuscript reports results of combined computational chemistry and batch adsorption investigation of insensitive munition compounds, 2,4-dinitroanisole（DNAN）, triaminotrinitrobenzene（TATB）, 1,1-diamino-2,2-dinitroethene（FOX-7） and nitroguanidine（NQ）, and traditional munition compound 2,4,6-trinitrotoluene（TNT） on the surfaces of cellulose, cellulose triacetate, chitin and chitosan biopolymers. Cellulose,cellulose triacetate, chitin and chitosan were modeled as trimeric form of the linear chain of4 C1 chair conformation of β-D-glucopyranos, its triacetate form, β-N-acetylglucosamine and D-glucosamine, respectively, in the 1 ？ 4 linkage. Geometries were optimized at the M062 X functional level of the density functional theory（DFT） using the 6-31 G（d,p） basis set in the gas phase and in the bulk water solution using the conductor-like polarizable continuum model（CPCM） approach. The nature of potential energy surfaces of the optimized geometries were ascertained through the harmonic vibrational frequency analysis. The basis set superposition error（BSSE） corrected interaction energies were obtained using the 6-311 G（d,p）basis set at the same theoretical level. The computed BSSE in the gas phase was used to correct interaction energy in the bulk water solution. Computed and experimental results regarding the ability of considered surfaces in adsorbing the insensitive munitions compounds are discussed.展开更多
基金Scientific Research Foundation for High-level Talents of Anhui University of Science and Technology(Grant No.2021yjrc38)Anhui Provincial Natural Science Foundation(Grant No.2208085QA27)+1 种基金National Natural Science Foundation of China(Grant Nos.11972046,12002266)the authors would like to thank these foundations for financial support.
文摘2,4-dinitroanisole(DNAN)is a good replacement for 2,4,6-trinitrotoluene(TNT)in melt-cast explosives due to its superior insensitivity.With the increasing use of DNAN-based melt-cast explosives,the prediction of reaction violence and hazard assessment of the explosives subjected to shock is of great significance.This study investigated the shock initiation characteristics for a DNAN-based melt-cast explosive,DHFA,using the one-dimensional Lagrangian apparatus.The embedded manganin gauges in the apparatus record the pressure histories at four Lagrangian positions and show that shock-todetonation transition in DHFA needs a high input shock pressure.The experimental data are analyzed to calibrate the Ignition and Growth model.The calibration is performed using an objective function based on both pressure history and the arrival time of shock.Good agreement between experimental and calculated pressure histories indicates the high accuracy of the calibrated parameters with the optimization method.
基金the National Defense Foundation of China (3090021322001, 3090020221912, 3090021211903.) for financial support of this work。
文摘In the present study, thermal hazards of TNT and DNAN used as the molten binder in TKX-50-based meltcast explosives were comparatively studied through accelerating rate calorimeter(ARC) and Cook-off experiments. Two kinds of ARC operation modes were performed to investigate the thermal safety performance under adiabatic conditions(HWS mode) and constant heating(CHR mode). The obtained results demonstrated that at both heating modes, DNAN/TKX-50 outperformed TNT/TKX-50 from the thermal safety point of view. However, the sensitivity to heat of the samples was reverse because of the different heating modes. In addition, the results of thermal hazard assessment obtained from the cookoff experiment complied with ARC analysis which indicated the molten binder TNT replaced by DNAN would reduce the hazard of the TKX-50 melt cast explosive. Furthermore, the results of cook-off experiments also showed that DNAN/TKX-50 outperformed TNT/TKX-50 from the aspect of thermal stability, which was consistent with the result of CHR mode because of the similar heating process.
文摘This manuscript reports results of combined computational chemistry and batch adsorption investigation of insensitive munition compounds, 2,4-dinitroanisole（DNAN）, triaminotrinitrobenzene（TATB）, 1,1-diamino-2,2-dinitroethene（FOX-7） and nitroguanidine（NQ）, and traditional munition compound 2,4,6-trinitrotoluene（TNT） on the surfaces of cellulose, cellulose triacetate, chitin and chitosan biopolymers. Cellulose,cellulose triacetate, chitin and chitosan were modeled as trimeric form of the linear chain of4 C1 chair conformation of β-D-glucopyranos, its triacetate form, β-N-acetylglucosamine and D-glucosamine, respectively, in the 1 ？ 4 linkage. Geometries were optimized at the M062 X functional level of the density functional theory（DFT） using the 6-31 G（d,p） basis set in the gas phase and in the bulk water solution using the conductor-like polarizable continuum model（CPCM） approach. The nature of potential energy surfaces of the optimized geometries were ascertained through the harmonic vibrational frequency analysis. The basis set superposition error（BSSE） corrected interaction energies were obtained using the 6-311 G（d,p）basis set at the same theoretical level. The computed BSSE in the gas phase was used to correct interaction energy in the bulk water solution. Computed and experimental results regarding the ability of considered surfaces in adsorbing the insensitive munitions compounds are discussed.
