Thermochemical Properties, Thermal Behavior and Decomposition Mechanism of 1,1‐Diamino‐2,2‐dinitroethylene (DADE)

Abstract

Abstract The constant‐volume combustion energy, Δ c U (DADE, s, 298.15 K), the thermal behavior, and kinetics and mechanism of the exothermic decomposition reaction of 1,1‐diamino‐2,2‐dinitroethylene (DADE) have been investigated by a precise rotating bomb calorimeter, TG‐DTG, DSC, rapid‐scan fourier transform infrared (RSFT‐IR) spectroscopy and T‐jump/FTIR, respectively. The value of Δ c H ⊖ m (DADE, s, 298.15 K) was determined as (−8518.09± 4.59) J·g −1 . Its standard enthalpy of combustion, Δ c U (DADE, s, 298.15 K), and standard enthalpy of formation, Δ f H ⊖ m (DADE, s, 298.15 K) were calculated to be (−1254.00±0.68) and (−103.98±0.73) kJ·mol −1 , respectively. The kinetic parameters (the apparent activation energy E a and pre‐exponential factor A ) of the first exothermic decomposition reaction in a temperature‐programmed mode obtained by Kissinger′s method and Ozawa′s method, were E k =344.35 kJ·mol −1 , A k =10 34.50 s −1 and E o =335.32 kJ·mol −1 , respectively. The critical temperatures of thermal explosion of DADE were 206.98 and 207.08 °C by different methods. Information was obtained on its thermolysis detected by RSFT‐IR and T‐jump/FTIR.