Research on the thermal hazard characteristics of 1-aminotriazole transition-metal complexes and risk assessment

This study conducted a systematic thermal safety assessment of two novel energetic coordination complexes (ECCs) based on the nitrogen-rich ligand 1-aminotriazole (1-ATRI): Cu(H₂O)₂(1-ATRI)₄(ClO₄)₂ and Co(1-ATRI)₆(ClO₄)₂. Utilizing a multi-technique strategy combining thermogravimetric analysis (TG), differential scanning calorimetry (DSC), and accelerating rate calorimetry (ARC), we developed a robust predictive framework for the thermal safety of ECCs. This approach enabled a systematic investigation of the thermal decomposition behavior, reaction kinetics, and thermal runaway risk of the complexes. Kinetic analysis was performed using isoconversional methods and model-fitting approaches. These analyses elucidated the decomposition mechanisms and provided key kinetic parameters. Adiabatic calorimetry delivered critical safety parameters characterizing thermal hazards, including the self-accelerating decomposition temperature (SADT) and the time to maximum rate under adiabatic conditions (TMR_ad). The results demonstrate that both complexes exhibit favorable thermal stability. However, they also present significant thermal hazards, necessitating the implementation of stringent safety management protocols. This research provides a theoretical foundation for their potential application as replacements for traditional energetic materials in propellants and pyrotechnics, thereby advancing the sustainable utilization of this class of complexes.