1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 w...1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 was carried out by B3LYP/6-311＋＋G^＊＊ method. The IR frequencies and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of AEFOX-7 was studied with differential scanning calorimetry and thermal gravity-derivative thermogravimetry methods, and can be divided into a melting process and an exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential factor of the exothermic decomposition reaction were obtained as 374.88 kJ/mol, 169.7 kJ/mol, and 10^19.24 s^-1, respectively. The critical temperature of thermal explosion of AEFOX-7 is 145.2 ℃. The specific heat capacity of AEFOX-7 was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 214.50 J/（mol K） at 298.15 K. The adiabatic time-to-explosion of AEFOX-7 was calculated to be a certain value between 1.38-1.40 s. The thermal stability of AEFOX-7 is much lower than that of FOX-7.展开更多
文摘1-amino-1-ethylamino-2,2-dinitroethylene （AEFOX-7） was synthesized by the reaction of 1,1- diamino-2,2-dinitroethylene （FOX-7） and ethylamine aqueous solution at 92 ℃. The the- oretical investigation on AEFOX-7 was carried out by B3LYP/6-311＋＋G^＊＊ method. The IR frequencies and NMR chemical shifts were performed and compared with the experimental results. The thermal behavior of AEFOX-7 was studied with differential scanning calorimetry and thermal gravity-derivative thermogravimetry methods, and can be divided into a melting process and an exothermic decomposition process. The enthalpy, apparent activation energy and pre-exponential factor of the exothermic decomposition reaction were obtained as 374.88 kJ/mol, 169.7 kJ/mol, and 10^19.24 s^-1, respectively. The critical temperature of thermal explosion of AEFOX-7 is 145.2 ℃. The specific heat capacity of AEFOX-7 was determined with micro-DSC method and theoretical calculation method, and the molar heat capacity is 214.50 J/（mol K） at 298.15 K. The adiabatic time-to-explosion of AEFOX-7 was calculated to be a certain value between 1.38-1.40 s. The thermal stability of AEFOX-7 is much lower than that of FOX-7.
