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Non-isothermal Decomposition Kinetics of a New High-energy Organic Potassium Salt: K(DNDZ)
Kangzhen Xu,Xiaolei Ren,Fengqi Zhao,Hongxu Gao,Siyu Xu,Rongzu Hu,Jirong Song 대한화학회 2009 Bulletin of the Korean Chemical Society Vol.30 No.10
A new high-energy organic potassium salt, 2-(dinitromethylene)-1,3-diazepentane potassium salt K(DNDZ), was synthesized by reacting of 2-(dinitromethylene)-1,3-diazepentane (DNDZ) and potassium hydroxide. The thermal behavior and non-isothermal decomposition kinetics of K(DNDZ) were studied with DSC, TG/DTG methods. The kinetic equation is d 1013.92 3(1 ) dT ααβ= −2[−ln(1 − α )]3 exp(−1.52 × 105 / RT). The critical temperature of thermal explosion of K(DNDZ) is 208.63 oC. The specific heat capacity of K(DNDZ) was determined with a micro-DSC method, and the molar heat capacity is 224.63 J mol‒1 K‒1 at 298.15 K. Adiabatic time-to-explosion of K(DNDZ) obtained is 157.96 s.
Non-isothermal Decomposition Kinetics of a New High-energy Organic Potassium Salt: K(DNDZ)
Xu, Kangzhen,Zhao, Fengqi,Song, Jirong,Ren, Xiaolei,Gao, Hongxu,Xu, Siyu,Hu, Rongzu Korean Chemical Society 2009 Bulletin of the Korean Chemical Society Vol.30 No.10
A new high-energy organic potassium salt, 2-(dinitromethylene)-1,3-diazepentane potassium salt K(DNDZ), was synthesized by reacting of 2-(dinitromethylene)-1,3-diazepentane (DNDZ) and potassium hydroxide. The thermal behavior and non-isothermal decomposition kinetics of K(DNDZ) were studied with DSC, TG/DTG methods. The kinetic equation is $\frac{d{\alpha}}{dT}$ = $\frac{10^{13.92}}{\beta}$3(1 - $\alpha$[-ln(1 - $\alpha$)]$^{\frac{2}{3}}$ exp(-1.52 ${\times}\;10^5$ / RT). The critical temperature of thermal explosion of K(DNDZ) is $208.63\;{^{\circ}C}$. The specific heat capacity of K(DNDZ) was determined with a micro-DSC method, and the molar heat capacity is 224.63 J $mol^{-1}\;K^{-1}$ at 298.15 K. Adiabatic time-to-explosion of K(DNDZ) obtained is 157.96 s.
Syntheses and Thermal Behaviors of Rb(FOX-7)·H2O and Cs(FOX-7)·H2O
Jinan Luo,Kangzhen Xu,Min Wang,Jirong Song,Xiaolei Ren,Yongshun Chen,Fengqi Zhao 대한화학회 2010 Bulletin of the Korean Chemical Society Vol.31 No.10
Two new energetic organic alkali metal salts, 1,1-diamino-2,2-dinitroethylene rubidium salt [Rb(FOX-7)·H2O] and 1,1-diamino-2,2-dinitroethylene cesium salt [Cs(FOX-7)·H2O], were synthesized by reacting of 1,1-diamino-2,2-dinitroethylene (FOX-7) and rubidium chloride or cesium chloride in alkali methanol aqueous solution, respectively. The thermal behaviors of Rb(FOX-7)·H2O and Cs(FOX-7)·H2O were studied with DSC and TG methods. The critical temperatures of thermal explosion of the two compounds are 216.22 and 223.73 oC, respectively. Specific heat capacities of the two compounds were determined with a micro-DSC method, and the molar heat capacities are 217.46 and 199.47 J mol‒1K‒1 at 298.15 K, respectively. The adiabatic times-to-explosion were also calculated to be a certain value of 5.81 - 6.36s for Rb(FOX-7)·H2O, and 9.92 - 10.54 s for Cs(FOX-7)·H2O. After FOX-7 becoming alkali metal salts, thermal decomposition temperatures of the compounds heighten with the rise of element period, but thermal decomposition processes become intense.
Yanshui Zhou,Kangzhen Xu,Bozhou Wang,Hang Zhang,Qianqian Qiu,Fengqi Zhao 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.10
A novel energetic compound, bifurazano[3,4-b:3',4'-f ]furoxano[3'',4''-d] oxacyclohetpatriene (BFFO), was synthesized through special etherification and its structure was determined by single crystal X-ray diffraction. The crystal of BFFO·H2O is monoclinic, space group P2(1)/c with crystal parameters of a = 9.324(4) Å, b = 9.727(4) Å, c = 10.391(4) Å, β = 106.305(6)°, V = 904.5(6) Å3, Z = 4, μ = 0.17 mm−1, F(000) = 512 and Dc = 1.866 g cm−3. Spectroscopic properties and thermal behaviors of BFFO were studied. BFFO presents good detonation properties.
Structural and Thermal Characteristics of a High-Nitrogen Energetic Material: G(AHDNE)
Lei Lü,Kangzhen Xu,Hang Zhang,Gang Wang,Jie Huang,Bozhou Wang,Fengqi Zhao 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.7
A high-nitrogen energetic salt, 1-amino-1-hydrazino-2,2-dinitroethylene guanidine salt [G(AHDNE)], was synthesized by reacting of 1-amino-1-hydrazino-2,2-dinitroethylene (AHDNE) and guanidine hydrochloride in sodium hydroxide aqueous solution. The theoretical investigation on G(AHDNE) was carried out by B3LYP/ 6-311+G* method. The thermal behaviors of G(AHDNE) were studied with DSC and TG-DTG methods, and the result presents an intense exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential constant of the process are −1060 J g−1, 148.7 kJ mol−1 and 1015.90 s−1, respectively. The critical temperature of thermal explosion of G(AHDNE) is 152.63 °C. The specific heat capacity of G(AHDNE) was studied with micro-DSC method and theoretical calculation method, and the molar heat capacity is 314.69 J mol−1 K−1 at 298.15 K. Adiabatic time-to-explosion of G(AHDNE) was calculated to be a certain value between 60-72 s. The detonation velocity and detonation pressure were also estimated. G(AHDNE) presents good performances.
Structural and Thermal Characteristics of a High-Nitrogen Energetic Material: G(AHDNE)
Lu, Lei,Xu, Kangzhen,Zhang, Hang,Wang, Gang,Huang, Jie,Wang, Bozhou,Zhao, Fengqi Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.7
A high-nitrogen energetic salt, 1-amino-1-hydrazino-2,2-dinitroethylene guanidine salt [G(AHDNE)], was synthesized by reacting of 1-amino-1-hydrazino-2,2-dinitroethylene (AHDNE) and guanidine hydrochloride in sodium hydroxide aqueous solution. The theoretical investigation on G(AHDNE) was carried out by B3LYP/$6-311+G^*$ method. The thermal behaviors of G(AHDNE) were studied with DSC and TG-DTG methods, and the result presents an intense exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential constant of the process are $-1060J\;g^{-1}$, $148.7kJ\;mol^{-1}$ and $10^{15.90}s^{-1}$, respectively. The critical temperature of thermal explosion of G(AHDNE) is $152.63^{\circ}C$. The specific heat capacity of G(AHDNE) was studied with micro-DSC method and theoretical calculation method, and the molar heat capacity is $314.69J\;mol^{-1}K^{-1}$ at 298.15 K. Adiabatic time-to-explosion of G(AHDNE) was calculated to be a certain value between 60-72 s. The detonation velocity and detonation pressure were also estimated. G(AHDNE) presents good performances.
Xiaolei Ren,Xiangang Zuo,Kangzhen Xu,Yinghui Ren,Jie Huang,Jirong Song,Bozhou Wang,Fengqi Zhao 대한화학회 2011 Bulletin of the Korean Chemical Society Vol.32 No.7
A novel energetic material, 1-amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene (APHDNE), was synthesized by the reaction of 1,1-diamino-2,2-dinitroethylene (FOX-7) and 2,4-dinitrophenylhydrazine in Nmethyl pyrrolidone (NMP) at 110 ^oC. The theoretical investigation on APHDNE was curried out by B3LYP/6-311+G^* method. The IR frequencies analysis and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of APHDNE was studied by DSC and TG/DTG methods, and can be divided into two crystal phase transition processes and three exothermic decomposition processes. The enthalpy, apparent activation energy and pre-exponential factor of the first exothermic decomposition reaction were obtained as −525.3 kJ mol^−1, 276.85 kJ mol^−1 and 10^(26.22) s^−1, respectively. The critical temperature of thermal explosion of APHDNE is 237.7 ^oC. The specific heat capacity of APHDNE was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 363.67 J mol^−1 K^−1 at 298.15 K. The adiabatic time-to-explosion of APHDNE was also calculated to be a certain value between 253.2-309.4 s. APHDNE has higher thermal stability than FOX-7.
Zhou, Yanshui,Xu, Kangzhen,Wang, Bozhou,Zhang, Hang,Qiu, Qianqian,Zhao, Fengqi Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.10
A novel energetic compound, bifurazano[3,4-b:3',4'-f]furoxano[3'',4''-d] oxacyclohetpatriene (BFFO), was synthesized through special etherification and its structure was determined by single crystal X-ray diffraction. The crystal of $BFFO{\cdot}H_2O$ is monoclinic, space group P2(1)/c with crystal parameters of a = $9.324(4){\AA}$, b = $9.727(4){\AA}$, c = $10.391(4){\AA}$, ${\beta}=106.305(6)^{\circ}$, V = $904.5(6){\AA}^3$, Z = 4, ${\mu}=0.17mm^{-1}$, F(000) = 512 and $D_c=1.866g\;cm^{-3}$. Spectroscopic properties and thermal behaviors of BFFO were studied. BFFO presents good detonation properties.
Syntheses and Thermal Behaviors of Rb(FOX-7)·H<sub>2</sub>O and Cs(FOX-7)·H<sub>2</sub>O
Luo, Jinan,Xu, Kangzhen,Wang, Min,Song, Jirong,Ren, Xiaolei,Chen, Yongshun,Zhao, Fengqi Korean Chemical Society 2010 Bulletin of the Korean Chemical Society Vol.31 No.10
Two new energetic organic alkali metal salts, 1,1-diamino-2,2-dinitroethylene rubidium salt [Rb(FOX-7)${\cdot}H_2O$] and 1,1-diamino-2,2-dinitroethylene cesium salt [Cs(FOX-7)${\cdot}H_2O$], were synthesized by reacting of 1,1-diamino-2,2-dinitroethylene (FOX-7) and rubidium chloride or cesium chloride in alkali methanol aqueous solution, respectively. The thermal behaviors of Rb(FOX-7)${\cdot}H_2O$ and Cs(FOX-7)${\cdot}H_2O$ were studied with DSC and TG methods. The critical temperatures of thermal explosion of the two compounds are 216.22 and $223.73^{\circ}C$, respectively. Specific heat capacities of the two compounds were determined with a micro-DSC method, and the molar heat capacities are 217.46 and $199.47\;J\;mol^{-1}\;K^{-1}$ at 298.15 K, respectively. The adiabatic times-to-explosion were also calculated to be a certain value of 5.81 - 6.36 s for Rb(FOX-7)${\cdot}H_2O$, and 9.92 - 10.54 s for Cs(FOX-7)${\cdot}H_2O$. After FOX-7 becoming alkali metal salts, thermal decomposition temperatures of the compounds heighten with the rise of element period, but thermal decomposition processes become intense.
Ren, Xiaolei,Zuo, Xiangang,Xu, Kangzhen,Ren, Yinghui,Huang, Jie,Song, Jirong,Wang, Bozhou,Zhao, Fengqi Korean Chemical Society 2011 Bulletin of the Korean Chemical Society Vol.32 No.7
A novel energetic material, 1-amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene (APHDNE), was synthesized by the reaction of 1,1-diamino-2,2-dinitroethylene (FOX-7) and 2,4-dinitrophenylhydrazine in N-methyl pyrrolidone (NMP) at 110 $^{\circ}C$. The theoretical investigation on APHDNE was curried out by B3LYP/6-311+$G^*$ method. The IR frequencies analysis and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of APHDNE was studied by DSC and TG/DTG methods, and can be divided into two crystal phase transition processes and three exothermic decomposition processes. The enthalpy, apparent activation energy and pre-exponential factor of the first exothermic decomposition reaction were obtained as -525.3 kJ $mol^{-1}$, 276.85 kJ $mol^{-1}$ and $10^{26.22}s^{-1}$, respectively. The critical temperature of thermal explosion of APHDNE is 237.7 $^{\circ}C$. The specific heat capacity of APHDNE was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 363.67 J $mol^{-1}K^{-1}$ at 298.15 K. The adiabatic time-to-explosion of APHDNE was also calculated to be a certain value between 253.2-309.4 s. APHDNE has higher thermal stability than FOX-7.