Determination of SADT and TMRad of 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole-5-carboxylic acid: Applying thermal decomposition kinetics

• Main Authors: Yun-Bo Cong, Zhen-Yun Wei, Xiao-Hua Ma, Zi-Liang Li, Quan-Guo Li, Xu Ming, Chun-Sheng Cheng
• Format: Article
• Language: English
• Published: Elsevier 2021-01-01
• Series: Results in Chemistry
• Subjects: Pyrazole acid (BDPCA); Thermal decomposition kinetics; TMRad; SADT; DSC; C600
• Online Access: http://www.sciencedirect.com/science/article/pii/S2211715621000175

The aim of this study was the evaluation of the safety parameters: Time to Maximum Rate under adiabatic conditions (TMRad) and self-accelerating decomposition temperature (SADT) for 3-bromo-1-(3,5-dichloropyridin-2-yl)-4,5-dihydro-1H-pyrazole −5-carboxylic acid (BDPCA) using evaluated kinetic parameters. The required decomposition kinetics was determined from the results of differential scanning calorimetry (DSC), microcalorimetry (C600), and adiabatic accelerating calorimeter (ARC). AKTS Thermokinetics (TK) and Thermal Safety (TS) Software were used for evaluation of the kinetic parameters of a decomposition reaction. The kinetic analysis was based on the isoconversional Friedman method. The values of TMRad amount to 110.2 °C, 107.3 °C, and 104.9 °C when calculated from the data collected by DSC, C600, and ARC, respectively. The simulated values of SADT for a 50 kg package of BDPCA amount to 101 °C and 96 °C when elaborating the DSC and C600 signals, respectively. Obtained results indicate that the application of kinetic parameters evaluated from the experiments carried out by three different calorimetric devices resulted in the evaluation of consistent safety parameters.