Data from: Insights on decomposition process of c-C4F8 and c-C4F8/N2 mixture as substitutes for SF6

In recent years, many scholars have carried out studies on c-C4F8 and its gas mixture and found it has potential to be used as an environment-friendly insulating medium to replace SF6 in medium-voltage equipment. In this paper, the c-C4F8 and c-C4F8/N2 gas mixture models were built to study its decomposition process by the combination of reactive molecular dynamics method and density functional theory. The yield of the main decomposition products, the reaction pathways and enthalpy under different temperatures were explored. It was found that the decomposition of c-C4F8/N2 mainly produces CF2, F, CF3, CF, C, CF4 and C2F4. c-C4F8 can decompose to C2F4 by absorbing 43.28 kcal/mol, which is the main decomposition path and this process easily occurs under high temperature. There is a dynamic equilibrium process among the various produced radicals, which ensures the insulation performance of system to a certain extent. The decomposition performance of c-C4F8/N2 mixture is better than that of pure c-C4F8 at the same temperature. Relevant results provide guidance for engineering application of the c-C4F8/N2 gas mixture.