Study of the pyrolysis mechanism of the synthesis product BPC based on gaussian simulation

The thermal decomposition mechanism of the synthesis product BPC was investigated by differential scanning calorimetry and Gaussian simulation. The results obtained from this investigation demonstrated that, during the pyrolysis process, a peroxy bond within the BPC structure underwent thermal cleavage, resulting in the generation of peroxyl and tert-butylperoxy radicals. The peroxy radical underwent a two-step process to form 2-tert-butylperoxy-2-methylpropane. The tert-butoxy radical had two possible decomposition paths, ultimately producing acetone, methyl, methanol, and tert-butyl.