Thermal Hazard Assessment of 4,4′-Biphenyl Bis(benzyl azide): Combining Experimental and Theoretical Approaches

4,4′-Biphenyl bis(benzyl azide) (BPDBA) is a high-energy compound containing dual benzyl azide groups, whose thermal stability and risk of uncontrolled reaction urgently need assessment. This Article presents a systematic study of BPDBA. Using techniques such as differential scanning calorimetry, thermogravimetric analysis, and accelerating rate calorimetry, the thermal decomposition characteristics of BPDBA under different conditions were investigated. The main thermodynamic parameters, safety parameters, and reaction patterns of its thermal decomposition process were obtained. Experimental results indicate that under high-temperature or cooling failure conditions, BPDBA exhibits significant thermal hazards. Density functional theory was used to study the thermal decomposition characteristics and mechanism of BPDBA. This study provides a theoretical basis for improving the intrinsic safety of BPDBA applications and formulating corresponding safety prevention measures.