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Updated: Aug 19, 2026

Single-throughput Complementary High-resolution Analytical Techniques for Characterizing Complex Natural Organic Matter Mixtures
Published on: January 7, 2019
Ozone-persulfate molecular energy-level matching regulates dissolved organic matter degradation and transformation in
Junda Lai1, Jun Cui2, Yechen An3
1Hebei Key Laboratory for Emerging Contaminants Control and Risk Management, College of Environmental Science and Engineering, Beijing Forestry University, Beijing, 100083, China; Beijing Key Lab for Source Control Technology of Water Pollution, College of Environmental Science and Engineering, Beijing Forestry University, Beijing, 100083, PR China.
Abstract:
Ozone-persulfate coupling can enhance ozonation for wastewater treatment, but its activation mechanism and component-specific degradation pathways governing COD removal in real wastewater remain unclear. Herein, ozone-persulfate coupling for treating composting leachate aerobic effluent was studied, via DFT, radical quantification, and spectroscopy. Based on results, the energy-level matching mechanism governing the molecular interactions between ozone and persulfate species (PS and PMS) was first reported. PS enabled pronounced OO bond elongation (1.323 to 1.702 Å) for radical-assisted activation, whereas PMS favored initial O3 association (adsorption -1.704 vs. -0.985 eV; orbital gap 1.451 vs. 1.875 eV). O3/PS (7.60 × 10-10 M·s) produced more SO4·- than O3/PMS (6.14 × 10-10 M·s), which achieving higher COD (71.33 %) and TOC (59.70 %) removal, reducing oxidation cost from 1.40 to 0.33 USD kg-1 COD. O3/PS induced broader functional group changes, suppressed carbonyl accumulation, and exhibited stronger SO4·--driven selectivity for humic-like C2. O3/PS transformed protein-like/low-excitation humified fluorophores before fulvic/humic-like components, whereas O3/PMS transitioned from protein/fulvic/low-excitation humic-like to aromatic humic structures. These findings link structure-activation-reactivity to radical exposure, temporal responses, and component selectivity, providing mechanistic guidance for ozone-persulfate process optimization and application.
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