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Study on Pyrolysis Characteristics of SF6 in a Trace ... ReaxFFSFO force field for a SF6–O2 system is developed based on the density functional theory (DFT) calculation data. Then, a series of molecular dynamics (MD) simulations were performed. The results show that the main oxygen-containing compounds that appeared in the MD simulation include SOF4, SOF2, and SO2F2. The relative quantitative relationship between SOF2 and SOF4 can be …Author: Heng Liu, Jian Wang, Jingrui Wang, Qi Hu, Yanan Chang, Qingmin Li

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