Study on the mechanism of the effect of temperature on the decomposition reaction of SFn (n = 1–6) under discharge conditions

The study on the mechanism of effect temperature decomposition reaction SFn (n = 1–6) under discharge conditions is very important in studying potential fault SF6 high voltage switch equipment and perfecting chemical kinetic model discharge. In this paper, structural optimizations, thermal correction to Gibbs free energy for reactants, products were performed at B3LYP/6–311 + G(d,p) theory level. single-point energies all species collected CCSD(T)/aug-cc-PVTZ electric 298–10,000 K studied, respectively. conclusion drawn was that range K, homopolytic △G began decline from 200 kJ/mol, while other two heterogenous reactions decrease 1000 kJ/mol 2000 showing a downward trend an almost similar slope. electrolysis related electron energy. When low, e → SFn− series occur, R12, R20, R28, R36, R44 increases with rise, R4 decreases temperature. high, one SFn−1− F, SFn−1 F−, F will occur various ranges as rises vary. second hits SFn−, occur. slowly increase This clearer terms explains process different temperatures.