Peracetic acid (PAA, CH3C(O)OOH) has recently emerged as an oxidant for the radical-based advanced oxidation processes (AOPs). Compared to hydroxyl and sulfate radicals, carbon-centered radicals generated by activation of PAA have been limitedly studied, and their reactivity to organic structures is not well understood. Co/PAA is a unique AOP in that Co(II)/Co(III) can efficiently activate PAA to generate CH3C(O)O● and CH3C(O)OO● radicals, with little formation of ●OH. Meanwhile, Co(II)/Co(III) react sluggishly with H2O2 coexistent with PAA. This study utilizes the Co/PAA system to investigate a suite of aromatic organic compounds for their potential to react with carbon-centered radicals generated from PAA. This study included two parts. First, the reaction kinetics of PAA with Co(II) and Co(III) were investigated. Then, the degradation of model contaminants (bisphenol-A, carbamazepine, naproxen and sulfamethoxazole) by Co/PAA was studied. The impacts of reaction conditions (pH, dosages of PAA, Co(II) and H2O2, and water matrix) and radical quenchers were assessed. Results confirmed the major role of carbon-centered radicals for the contaminants’ transformation, with little contribution from ●OH. Second, similar study was extended to a total of 30 aromatic organic compounds with various structures and functional groups. The pseudo-first-order rate constants (kPAA●) of compounds’ degradation by Co/PAA were measured, and 29 descriptors of compounds’ properties were calculated. Based on the results, a quantitative structure-activity relationship was established, highlighting the importance of the number of ring atoms, EHOMO, and ELUMO-EHOMO for a compound’s reactivity to carbon-centered radicals generated from PAA. This study significantly advances the fundamental understating of (i) the oxidation conditions under the combined PAA and Co(II)/Co(III), and (ii) organic compounds’ reactivity to carbon-centered radicals generated from activation of PAA. The results will be useful for further development of advanced oxidation technologies utilizing PAA.

Reactivity of aromatic organic compounds to radical species under cobalt/peracetic acid advanced oxidation process

Macromolecular Chemistry: The Second Century

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ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.