In:
Chinese Journal of Chemical Physics, AIP Publishing, Vol. 23, No. 3 ( 2010-06-01), p. 335-341
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 °C. The theoretical 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 1019.24 s−1, respectively. The critical temperature of thermal explosion of AEFOX-7 is 145.2 °C. 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.
Type of Medium:
Online Resource
ISSN:
1674-0068
,
2327-2244
DOI:
10.1088/1674-0068/23/03/335-341
Language:
English
Publisher:
AIP Publishing
Publication Date:
2010
detail.hit.zdb_id:
1106530-8
detail.hit.zdb_id:
2381472-X
SSG:
6,25
Permalink
