Chemical Kinetics of C 5 F 10 O with Reactive ·OH Radical Induced in AOP in Gaseous and Aqueous Phases

C 5 F 10 O-insulated environmental-friendly power equipment has great potential to be used in the near future to reduce greenhouse effect. During maintenance, C 5 F 10 O should be supplemented or replaced, and the released gas is promisingly to be removed by advanced oxidation processes, but chemical kinetics of C 5 F 10 O with the most reactive and dominant species ·OH radical in air plasma is still not clear. Therefore, this paper studied the degradation pathways and rate constants of C 5 F 10 O + ·OH in both gaseous and aqueous phases with M06-2X/6-31G* method and transition state theory. A continuum solvation model was also employed to study the influence of solvent on chemical kinetics of C 5 F 10 O + ·OH. The results show that most reactions (except for R7 and R8) in both phases have a similar transition state vibration mode leading to same products but rate constants are different. The rate constants of reactions R5 and S5 are highest in corresponding states, respectively, playing a dominant role in the degradation of C 5 F 10 O + ·OH, but the rate constant of reaction S5 is much lower indicating that AOP treatment for C 5 F 10 O in gas phase is more effective. This work lays a theoretical basis for plasma modeling and experimental investigation for C 5 F 10 O degradation by advanced oxidation process.