Chemical Kinetics of C5F10O with Reactive ·OH Radical Induced in AOP in Gaseous and Aqueous Phases.
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| Title: | Chemical Kinetics of C |
|---|---|
| Authors: | Fu, Yuwei1 (AUTHOR) yw_fu@outlook.com, Luo, Santu2 (AUTHOR), Li, Xingdi1 (AUTHOR), Chen, Chi1 (AUTHOR), Wang, Chuang1 (AUTHOR), Zhang, Zaiqin1 (AUTHOR), Liu, Dingxin2 (AUTHOR) liudingxin@mail.xjtu.edu.cn |
| Source: | Plasma Chemistry & Plasma Processing. Nov2022, Vol. 42 Issue 6, p1265-1278. 14p. |
| Subjects: | Chemical kinetics, Greenhouse effect, Solvation, Oxidation |
| Abstract: | C5F10O-insulated environmental-friendly power equipment has great potential to be used in the near future to reduce greenhouse effect. During maintenance, C5F10O should be supplemented or replaced, and the released gas is promisingly to be removed by advanced oxidation processes, but chemical kinetics of C5F10O 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 C5F10O + ·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 C5F10O + ·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 C5F10O + ·OH, but the rate constant of reaction S5 is much lower indicating that AOP treatment for C5F10O in gas phase is more effective. This work lays a theoretical basis for plasma modeling and experimental investigation for C5F10O degradation by advanced oxidation process. [ABSTRACT FROM AUTHOR] |
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| Database: | Engineering Source |
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