With growing environmental concerns, the search for alternative gases to replace SF₆ has become a key focus in the power industry. Perfluoromethyl vinyl ether (PMVE), with its low global warming potential (GWP) and excellent insulation properties, is a promising candidate. When mixed with N₂, PMVE not only decreases the liquefaction temperature but also enhances insulation performance, making the gas mixture more suitable for engineering applications. In this study, reactive molecular dynamics (ReaxFF-MD) and density functional theory (DFT) calculations were combined to investigate the influence of temperature on the decomposition characteristics of a PMVE/N₂ mixture. The reaction pathways and reaction enthalpy of PMVE and its major decomposition products were analyzed in detail. The results showed that, as temperature increases, the decomposition intensity of PMVE is enhanced, leading to a higher reaction rate and accelerated formation of decomposition products. Moreover, the main decomposition products of the PMVE/N₂ mixture include C, C₂F₂, CF₂, CN, CO, CF₂O, F, O, and other small molecules and free radicals. The dynamic balance between the generated free radicals helps maintain the system’s insulation capacity. However, toxic decomposition byproducts such as CF₂O, C₂N₂, and CO were also detected. This study provides valuable insights into the engineering applications of PMVE/N₂ mixtures.

Perfluoromethyl vinyl ether (PMVE) has recently emerged as a promising environmentally friendly insulating gas with potential for practical applications in the power industry. When mixed with CO₂, the PMVE/CO₂ mixture exhibits an elevated liquefaction temperature and enhanced insulation performance, making it suitable for engineering use. In this study, density functional theory (DFT) calculations were employed to investigate the reactive sites of PMVE molecules. The results indicate that the C₂–O and C₃–O bonds are the most susceptible to breakage, highlighting their high reactivity. The optimal insulation performance of the PMVE/CO₂ mixture is achieved at a CO₂ concentration of approximately 60%, with significant molecular decomposition observed at temperatures exceeding 2600 K. The primary decomposition products include C₂F₂, COF₃, COF₂, F, C₂F₃, CO, CF₃, and C₂F₄. Both high temperature and elevated CO₂ content accelerate the decomposition process. These findings provide valuable insights into the insulation properties and thermal stability of the PMVE/CO₂ system, offering theoretical support for its potential application in eco-friendly high-voltage insulation technologies.