Structural Characterization and Thermal Properties of 1-Amino-1-ethylamino-2,2-dinitroethylene
- Received Date: 2009-11-05
- 1-Amino-1-ethylamino-2,2-dinitroethylene, 1,1-Diamino-2,2-dinitroethylene, Thermal behavior, Theoretical calculation, Adiabatic time-to-explosion
Abstract: 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 oC. 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 experi-mental 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 1019.24 s-1, respectively. The critical temper-ature of thermal explosion of AEFOX-7 is 145.2 oC. 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.
|Citation:||Kang-zhen Xu, Feng-qi Zhao, Feng Wang, Han Wang, Jin-an Luo, Jin-an Luo. Structural Characterization and Thermal Properties of 1-Amino-1-ethylamino-2,2-dinitroethylene[J]. Chinese Journal of Chemical Physics , 2010, 23(3): 335-341. doi: 10.1088/1674-0068/23/03/335-341|