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Methanol is regarded as an available indicator to analyze the aging condition of cellulose insulation. However, the diffusion mechanism of methanol molecules in the paper-oil insulation system is still unclear, since it cannot be explored by using only experiments. Given this issue, the molecular dynamics simulations were performed to investigate the diffusion mechanism of methanol molecules. In the current work, the mean square displacement of methanol during the diffusion process was calculated and analyzed, as well as its trajectory tracking. Then, the research on interaction energies and hydrogen bonds in paper/oil system were conducted. Finally, the effect of temperature on the diffusion of methanol molecules was also studied. Findings revealed that the diffusion of methanol in cellulose insulation is faster than that in insulating oil, besides, the presence of hydrogen bonds affects the diffusion rate of methanol molecules in cellulose insulation and insulating oil. Thus, the present findings could support the investigation of the diffusion mechanisms of methanol molecules, by which the aging condition evaluation of cellulose insulation could be also promoted.

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