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NEW INSIGHTS INTO THE DEGRADATION MECHANISM OF PERFLUOROOCTANOIC ACID BY PERSULFATE FROM DENSITY FUNCTIONAL THEORY AND EXPERIMENTAL DATA
Zhang, Y., A. Moores, J. Liu, and S. Ghoshal.
Environmental Science & Technology 53(15):8672-8681(2019)

Density functional theory calculations and experimental data were used to map entire reaction pathways for the degradation of PFOA by persulfate, with specific considerations on the influence of pH. This study provides insight into remediation strategies that include persulfate as an oxidizing agent for perfluoroalkyl carboxylic acids.



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