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

Abstract

AbstractThe constant‐volume combustion energy, ΔcU (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 ΔcH⊖m (DADE, s, 298.15 K) was determined as (−8518.09± 4.59) J·g−1. Its standard enthalpy of combustion, ΔcU (DADE, s, 298.15 K), and standard enthalpy of formation, ΔfH⊖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 Ea 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 Ek=344.35 kJ·mol−1, Ak=1034.50 s−1 and Eo=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.