This paper reviews the detonative properties of low bulk density(LBD),high bulk density(HBD)Nitroguanidine(NGu)(1),CAS-No:[556-88-7]and 82 explosive formulations based on NGu reported in the public domain.To rank the ...This paper reviews the detonative properties of low bulk density(LBD),high bulk density(HBD)Nitroguanidine(NGu)(1),CAS-No:[556-88-7]and 82 explosive formulations based on NGu reported in the public domain.To rank the performance of those formulations they are compared with 15 reference compositions containing both standard high explosives such as octogen(HMX)(2),hexogen(RDX)(3),pentaerythritol tetranitrate(PETN)(4),2,4,6-trinitrotoluene(TNT)(5)as well as insensitive high explosives such as 3-nitro-1,2,4-triazolone(NTO)(6),1,3,5-triamino-2,4,6-trinitrobenzene(TATB)(7),1,1-diamino-2,2-dinitroethylene(FOX-7)(8)and N-Guanylurea dinitramide(FOX 12)(9).NGu based formulations are superior to those based on FOX-12 or TATB and are a close match with FOX-7 based explosives,the latter just having higher Gurney Energies(-10%)and slightly higher detonation pressure(+2%).NGu based explosives even reach up to 78% of the detonation pressure,82% Gurney energy and up to 95% of detonation velocity of HMX.LBD-NGu dissolves in many melt cast eutectics forming dense charges thereby eliminating the need for costly High Bulk Density NGu.Nitroguanidine based formulations are at the rock bottom of sensitiveness among all the above-mentioned explosives which contributes to the safety of these formulations.The review gives 132 references to the public domain.For a review on the synthesis spectroscopy and sensitiveness of Nitroguanidine see Ref.[1].展开更多
Nitroguanidine（NQ） isa high energy and low sensitivity explosive and solid-liquid equilibrium data are significant for study on crystallization of NQ. The solubilities of NQ in water, dimethyl sulfoxide, N, N dimeth...Nitroguanidine（NQ） isa high energy and low sensitivity explosive and solid-liquid equilibrium data are significant for study on crystallization of NQ. The solubilities of NQ in water, dimethyl sulfoxide, N, N dimethylformamide, 1,4 butyrolaetone and dimethyl sulfoxide @ water, N, N dimethylformamide ＋ water were measured by dynamic laser monitoring within a temperature range from 298. 15 K to 338. 15 K. The experimental data were correlated by modified Apelblat equation, 2h equation, CNIBS/R K model, andJouyban-Acree model. The results show that the four thermodynamic models can all be used to predict solubility with high accuracy. Accrding to the Akaike＇s information criterion （AIC）, the better models for correlating the solubility of NQ are judged. Additionally, the dissolution enthalpy, entropy and Gibbs free energy were calculated by the van＇t Hoff equation.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AlzChem Trostberg GmbH, Trostberg, Germany for funding this work
文摘This paper reviews the detonative properties of low bulk density(LBD),high bulk density(HBD)Nitroguanidine(NGu)(1),CAS-No:[556-88-7]and 82 explosive formulations based on NGu reported in the public domain.To rank the performance of those formulations they are compared with 15 reference compositions containing both standard high explosives such as octogen(HMX)(2),hexogen(RDX)(3),pentaerythritol tetranitrate(PETN)(4),2,4,6-trinitrotoluene(TNT)(5)as well as insensitive high explosives such as 3-nitro-1,2,4-triazolone(NTO)(6),1,3,5-triamino-2,4,6-trinitrobenzene(TATB)(7),1,1-diamino-2,2-dinitroethylene(FOX-7)(8)and N-Guanylurea dinitramide(FOX 12)(9).NGu based formulations are superior to those based on FOX-12 or TATB and are a close match with FOX-7 based explosives,the latter just having higher Gurney Energies(-10%)and slightly higher detonation pressure(+2%).NGu based explosives even reach up to 78% of the detonation pressure,82% Gurney energy and up to 95% of detonation velocity of HMX.LBD-NGu dissolves in many melt cast eutectics forming dense charges thereby eliminating the need for costly High Bulk Density NGu.Nitroguanidine based formulations are at the rock bottom of sensitiveness among all the above-mentioned explosives which contributes to the safety of these formulations.The review gives 132 references to the public domain.For a review on the synthesis spectroscopy and sensitiveness of Nitroguanidine see Ref.[1].
文摘Nitroguanidine（NQ） isa high energy and low sensitivity explosive and solid-liquid equilibrium data are significant for study on crystallization of NQ. The solubilities of NQ in water, dimethyl sulfoxide, N, N dimethylformamide, 1,4 butyrolaetone and dimethyl sulfoxide @ water, N, N dimethylformamide ＋ water were measured by dynamic laser monitoring within a temperature range from 298. 15 K to 338. 15 K. The experimental data were correlated by modified Apelblat equation, 2h equation, CNIBS/R K model, andJouyban-Acree model. The results show that the four thermodynamic models can all be used to predict solubility with high accuracy. Accrding to the Akaike＇s information criterion （AIC）, the better models for correlating the solubility of NQ are judged. Additionally, the dissolution enthalpy, entropy and Gibbs free energy were calculated by the van＇t Hoff equation.
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.
