Thermal behavior of 3,4,5-triamino-1,2,4-triazole dinitramide

The thermal decomposition behavior of 3,4,5-triamino-1,2,4-triazole dinitramide was measured using a C-500 type Calvet microcalorimeter at four different temperatures under atmospheric pressure. The apparent activation energy and pre-exponential factor of the exothermic decomposition reaction are 165.57 kJ mol⁻¹ and 10^18.04 s⁻¹, respectively. The critical temperature of thermal explosion is 431.71 K. The entropy of activation (ΔS ^≠), enthalpy of activation (ΔH ^≠), and free energy of activation (ΔG ^≠) are 97.19 J mol⁻¹ K⁻¹, 161.90 kJ mol⁻¹, and 118.98 kJ mol⁻¹, respectively. The self-accelerating decomposition temperature (T _SADT) is 422.28 K. The specific heat capacity of 3,4,5-triamino-1,2,4-triazole dinitramide was determined with a micro-DSC method and a theoretical calculation method. Specific heat capacity (J g⁻¹ K⁻¹) equation is C _p = 0.252 + 3.131 × 10⁻³  T (283.1 K < T < 353.2 K). The molar heat capacity of 3,4,5-triamino-1,2,4-triazole dinitramide is 264.52 J mol⁻¹ K⁻¹ at 298.15 K. The adiabatic time-to-explosion of 3,4,5-triamino-1,2,4-triazole dinitramide is calculated to be a certain value between 123.36 and 128.56 s.