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A novel solvent‐free energetic coordination polymer [Ag(3,4‐dnp)] was performed by dehydration. The structure was confirmed by single‐crystal X‐ray crystallography and the Ag(I) ions are coordinated in bidentate‐bridging mode. The results of thermal analysis (thermogravimetric and accelerating rate calorimeter) show that this compound has higher thermal stability than that of the traditional CHON‐containing energetic materials, RDX, HMX and CL‐20. The detonation velocity and detonation pressure of [Ag(3,4‐dnp)] are 5.532 km s−1, 15.88 GPa, respectively, which is lower than that HMX, RDX and TNT, and comparable with the 2D MOFs [Ag(Mtta)] based on the Ag ions and 5‐methyl tetrazole. The impact and friction sensitivities of this compound are infinitely close to RDX, state‐of‐the‐art explosive. The coordination polymers based on metal ions and nitropyrazole are promising potential as energetic materials. [ABSTRACT FROM AUTHOR]

Ammonium 3,3′-dinitrimino-5,5′-bis(1H-1,2,4-triazole) (ADNABT) was synthesized and characterized by IR spectroscopy, 1H/13C NMR and single-crystal X-ray diffraction. The thermal decomposition of ADNABT was investigated by thermogravimetry–differential thermal analysis (TG–DTA) and accelerating rate calorimeter (ARC). The kinetic parameters (activation energy, pre-exponential factor, mechanism functions) by DTA and ARC tests were simulated by Thermal Safety Software (TSS). The simulated results revealed that the exothermic decomposition of ADNABT under non-isothermal and adiabatic conditions all followed a full autocatalysis model. In order to ensure the safety of production, transportation and storage, several thermal hazard indicators such as time to maximum rate (TMR), reaction temperature at which TMR is 24 h (TD24), time to conversion limit and self-accelerating decomposition temperature (SADT) were also simulated by TSS on the kinetic model. The TD24 and SADT50 kg were calculated as 183.37 and 167.00 °C, respectively. [ABSTRACT FROM AUTHOR]

Dihydroxylammonium 5,5′- bistetrazole-1,1′-diolate (TKX-50) was used to prepare TKX-50-based polymer bonded explosive (PBX) for the first time in this study. The thermal stabilities and the kinetic parameters of TKX-50 and TKX-50-based PBX were compared via Differential Scanning Calorimetry (DSC), Thermal Gravity-Differential Thermal Gravity (TG-DTG) and Accelerating Rate Calorimeter (ARC). Furthermore, in order to know about their thermal safeties comprehensively, an advanced thermal analysis program based on Friedman method was employed to calculate the thermal safety parameters for TKX-50 and its PBX. With its help, two important safety parameters (time to maximum rate under adiabatic conditions ( TMR ad ) and self-accelerating decomposition temperature ( SADT )) for the two energetic materials were calculated and discussed. Finally, based on the safety parameters, effects of storage conditions and ambient temperatures on the thermal explosions of TKX-50 and TKX-50-based PBX were further studied by using finite element analysis (FEA). [ABSTRACT FROM AUTHOR]

Thermogravimetric-differential scanning calorimeter and accelerating rate calorimeter (ARC) were performed to study the thermal characteristics and kinetics of energetic 5,5′-bistetrazole-1,1′-diolate (1,1-BTO). The DSC measurements showed one endothermic peak and one exothermic peak with decomposition occurring at 219.1, 227.2, 234.0 and 244.1 °C at different heating rates (2, 4, 8 and 15 °C min). The value of critical temperature of thermal explosion ( T ) and kinetics parameters was calculated, suggesting that 1,1-BTO is stable below the temperature of 175.36 °C. The thermal behavior under adiabatic condition was studied by ARC, depicting that onset temperature was 176.61 °C and the thermal decomposition ended at 215.93 °C, within the time span of 49.04 min. In addition, the thermo-kinetic parameters such as the activation energy E and pre-exponential factor A under adiabatic condition were also obtained. [ABSTRACT FROM AUTHOR]