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Bulletin of the Korean Chemical Society (BKCS)

ISSN 0253-2964(Print)
ISSN 1229-5949(Online)
Volume 32, Number 7
BKCSDE 32(7)
July 20, 2011 

 
Title
Structural Characterization and Thermal behavior of a Novel Energetic Material: 1-Amino-1-(2,4-dinitrophenylhydrazine-yl)-2,2-dinitroethylene
Author
Xiaolei Ren, Xiangang Zuo, Kangzhen Xu*, Yinghui Ren, Jie Huang, Jirong Song, Bozhou Wang, Fengqi Zhao
Keywords
1-Amino-1-(2,4-dinitrophenylhydrazinyl)-2,2-dinitroethylene (APHDNE), 1,1-Diamino-2,2- dinitroethylene (FOX-7), Theoretical calculation, Thermal behavior, Adiabatic time-to-explosion
Abstract
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 1026.22 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.
Page
2267 - 2273
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