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Potassium 3,3′-dinitrimino-5,5′-bis(1H-1,2,4-triazole) (K2DNABT), a new potential green primary explosive, was synthesized and characterized by IR spectroscopy, multinuclear NMR spectroscopy and single-crystal X-ray diffraction. The thermal decomposition and thermal stability of K2DNABT were investigated by the thermogravimetric differential thermal analysis and accelerating rate calorimeter. The thermal decomposition kinetic parameters (apparent activation energy and pre-exponential factor) under non-isothermal condition were calculated by Starink method. The initial decomposition temperature (Tp0) and critical temperature of thermal explosion (Tbp0) were calculated as 279.06 and 298.53 °C, respectively. The apparent activation energy and pre-exponential factor under adiabatic condition were also calculated. The self-heating decomposition started at 280.46 °C and ended at 295.42 °C, within the time span of 162.50 min. The self-accelerating decomposition temperature (TSADT, 50kg) was calculated as 276.55 °C. The detonation velocity (7.59 km s−1) and pressure (27.84 GPa) of K2DNABT were evaluated by Kamlet-Jacob equations. The superior calculated energetic performance shows that it can be considered as a potential candidate of lead-based primary explosives. [ABSTRACT FROM AUTHOR]

Thermal decomposition and safety assessment of 3,3′-dinitrimino-5,5′-bis(1H-1,2,4-triazole) (DNABT) were investigated by thermogravimetry-derivative thermogravimetry-differential scanning calorimetry (TG-DTG-DSC), differential thermal analysis (DTA), and accelerating rate calorimetry (ARC). The result of TG-DTG-DSC at a heating rate of 10 °C min−1 indicated that an endothermic decomposition and an exothermic decomposition occurred at 133.98 and 210.86 °C, respectively. The apparent activation energy (Ea) and pre-exponential factor (A) of the exothermic decomposition, and the free energy of activation, activation enthalpy, and activation entropy at initial decomposition temperature (Tp0) were calculated from the DTA curves recorded at the heating rates of 1, 2, 4, 8 °C min−1. The critical temperature of thermal explosion (Tbp0) obtained by Ozawa’s and Kissinger’s methods were calculated as 205.01 and 205.14 °C, respectively. The result of ARC indicated that the self-heating decomposition started at 200.22 °C and ended at 232.66 °C. The self-heating decomposition parameters, including the onset temperature, final temperature, temperature at maximum rate, maximum temperature rate, adiabatic temperature rise, and time to maximum rate were obtained, and these parameters were corrected by thermal inertia factor. The Ea and A under adiabatic condition were also calculated. In addition, the self-accelerating decomposition temperature (TSADT, 50kg) was calculated as 175.37 °C. These results could contribute to improve the safety in the reaction, transportation, and storage processes of DNABT. [ABSTRACT FROM AUTHOR]

The thermal decomposition behavior and thermal stability of 3,3′-diamino-5,5′-bis(1H-1,2,4-triazole) with 2DMSO (DABT·2DMSO) were investigated by thermo gravimetry–derivative thermo gravimetry–differential scanning calorimetry (TG–DTG–DSC), differential thermal analysis (DTA) and accelerating rate calorimeter (ARC). The result of TG–DTG–DSC at a heating rate of 10 °C min−1 indicated that an endothermic decomposition and an exothermic decomposition occurred at 388.23 and 468.23 °C, respectively. The apparent activation energy (Ea) and pre-exponential factor (A) of the exothermic decomposition, and the free energy of activation, activation enthalpy and activation entropy at initial decomposition temperature (Tp0) were calculated from the DTA curves recorded at heating rates of 1, 2, 4, 8 °C min−1. The critical temperature of thermal explosion (Tbp0) obtained by the Ozawa’s and Kissinger’s methods were calculated as 470.46 and 470.73 °C, respectively. The result of ARC indicated that the self-heating decomposition started at 443.61 °C and ended at 480.91 °C, within the time span of 1397.50 min. The self-heating decomposition parameters, including the onset temperature, final temperature, temperature at max rate, max temperature rate, adiabatic temperature rise and time to maximum rate were obtained, and these parameters were corrected by thermal inertia factor. The Ea and A under adiabatic condition were also calculated. In addition, the self-accelerating decomposition temperature (TSADT, 50kg) was calculated as 429.54 °C. [ABSTRACT FROM AUTHOR]