摘要
1，1-二氨基-2，2-二硝基乙烯（FOX-7）和乙胺水溶液在92℃下反应合成出了一种新型含能材料1-氨基-1-乙氨基-2，2-二硝基乙烯（AEFOX-7）．利用理论计算方法研究了AEFOX－7的分子结构、红外吸收和核磁共振化学位移．用DSC和TG／DTG研究了AEFOX-7的热行为．其热行为可分为一个熔化过程和一个紧接的剧烈放热分解过程．热分解反应的放热焓、表观活化能和指前因子分别为：374．88，169．7kJ／mol和1019．24s^-1，热爆炸的临界温度是145．2℃．采用微量热法和理论计算方法研究了AEFOX-7的比热容，298．15K时为214．50J／（molK）．
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.
