Revealing the pyrolysis mechanism of polypropylene cable insulation: A combined study of TG‐GC experiments and RMD/DFT simulations

Abstract

AbstractStyrene grafted polypropylene (PP‐g‐St) is one of the insulating materials for high voltage power cables. However, the process of pyrolysis gas generation in polypropylene cable insulation remains poorly understood. To address this knowledge gap, this study employed a combination of thermogravimetric‐gas chromatography experiments, density functional theory, and reactive molecular dynamics simulations. The experimental findings revealed that the pyrolysis gases primarily consisted of H2, CO, C2H4, and CH4. Higher temperatures were found to increase the yields of H2 and CO. The simulation results indicated that H2 and CO were generated through the rupture of less reactive olefins and radicals, while C2H4 was primarily produced by the rupture of CC bonds in the polypropylene chain. Additionally, CH4 was formed when CH3 groups captured hydrogen from other molecules. By the chain reaction mechanism, we enable the calculation of the activation energy of PP‐g‐St. This study provides a theoretical foundation for understanding the pyrolysis gas generation.