Molecular Dynamics Simulation of the Decomposition Mechanism of Alkylbenzene Insulating Oil

Alkylbenzene insulating oil is widely used in high-voltage submarine oil-filled cables because of its low viscosity, low dielectric loss, high breakdown field strength, excellent electric field gas evolution, but there is still a lack of research on the decomposition mechanism of alkylbenzene insulating oil at this stage. In this paper, the molecular model of alkylbenzene is constructed and optimized by density functional theory (DFT), and the rationality of the optimization method of molecular model is verified by infrared spectroscopy. In addition, the decomposition process of alkylbenzene molecules is simulated by molecular dynamics (MD) research method, and the decomposition mechanism of alkylbenzene insulating oil is obtained.