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Mechanistic Inference on the Reaction Kinetics of Phenols and Anilines in Carbon Nanotubes-activated Peroxydisulfate Systems

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Monday, February 24, 2020 3:00pm to 4:00pm

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Environmental Engineering Graduate Seminar

Hanrui Su, PhD student, Environmental Engineering


Persulfate-based advanced oxidation processes are emerging technologies for removal of refractory organic pollutants in water. Recently, non-radical reaction pathways have been proposed for persulfate activation, but the underlying mechanisms are not well understood – especially for the surface reaction and the substrate-dependent selectivity. Herein, we developed precise predicting models (i.e., polyparameter linear free energy relationships (pp-LFERs) and quantitative structure-activity relationships (QSARs)) to evaluate the surface affinity and reactivity of phenolic and aniline compounds oxidized by peroxydisulfate and carbon nanotubes (CNTs), based on the binary Langmuir-Hinshelwood kinetics. This approach revealed significant contributions of π-π interaction and hydrophobic interaction between target contaminants and the CNTs surface, and influential factors (substituents and single-electron transfer abilities) affecting the reactivity. Thus, we provide a mechanistic inference of non-radical activation of persulfate by carbonaceous materials, which advances understanding of non-radical surface catalytic processes, and enables predictions of preferential interactions and treatability of specific organics in water.


Hanrui Su is currently studying for an Environmental Engineering PhD degree in Prof. Yun Hang Hu’s group at Michigan Technological University. He received his BS and MS degrees in Environmental Science and Engineering from Shanghai Jiao Tong University, China in 2016 and 2019, respectively. His research interests include nanotechnology for water purification and solid oxide fuel cells.

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