Effects of Molecular Structure on Organic Contaminants’ Degradation Efficiency and Dominant ROS in the Advanced Oxidation Process with Multiple ROS
Sichuan University · State Key Laboratory of Hydraulics and Mountain River Engineering · +3 more institutions
Abstract
In this study, the previously overlooked effects of contaminants’ molecular structure on their degradation efficiencies and dominant reactive oxygen species (ROS) in advanced oxidation processes (AOPs) are investigated with a peroxymonosulfate (PMS) activation system selected as the typical AOP system. Averagely, degradation efficiencies of 19 contaminants are discrepant in the CoCaAl-LDO/PMS system with production of SO4•–, •OH, and 1O2. Density functional theory calculations indicated that compounds with high EHOMO, low-energy gap (ΔE = ELUMO – EHOMO), and low vertical ionization potential are more vulnerable to be attacked. Further analysis disclosed that the dominant ROS was the same one when treating…
Citation impact
- FWCI
- 35.39
- Percentile
- 100%
- References
- 58
Authors
9- ZXZhihui Xie
Sichuan University, State Key Laboratory of Hydraulics and Mountain River Engineering
- CHChuan-Shu He
Sichuan University, State Key Laboratory of Hydraulics and Mountain River Engineering
- HZHongyu Zhou
Sichuan University, State Key Laboratory of Hydraulics and Mountain River Engineering
- FLFengcheng Li
Sichuan University, State Key Laboratory of Hydraulics and Mountain River Engineering
- YLYang Liu
Sichuan University, State Key Laboratory of Hydraulics and Mountain River Engineering
Topics & keywords
- Chemistry
- Degradation (telecommunications)
- Bisphenol A
- Contamination
- Advanced oxidation process
- Reactive oxygen species
- Environmental chemistry
- Oxygen
- Clean water and sanitation