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• W2969574434 endingPage "124615" @default.
• W2969574434 startingPage "124615" @default.
• W2969574434 abstract "Perfluorooctanesulfonic acid (PFOS) is a widespread and persistent pollutant of concern to human health and the environment. Although incineration is often used to treat material contaminated with PFOS and related per- and polyfluoroalkyl substances (PFAS), little is known about the precise chemical mechanism for the thermal decomposition of these substances of concern. Here, we present the first study of the thermal decomposition kinetics of PFOS and related perfluorinated acids, using computational chemistry and reaction rate theory methods. We discover that the preferred channel for PFOS decomposition is via an α-sultone that spontaneously decomposes to form perfluorooctanal and SO2. At 1000 K the halflife for PFOS is predicted to be 0.2 s, decreasing sharply as temperature increases further. These results show that the acid headgroup in PFOS can be efficiently destroyed in incinerators operating at relatively modest temperatures. The new insights provided into the exact decomposition mechanism and kinetics of PFOS will help to improve remediation technologies actively under development." @default.
• W2969574434 created "2019-08-29" @default.
• W2969574434 creator A5004403965 @default.
• W2969574434 creator A5071427562 @default.
• W2969574434 creator A5091744917 @default.
• W2969574434 date "2020-01-01" @default.
• W2969574434 modified "2023-10-16" @default.
• W2969574434 title "Decomposition kinetics of perfluorinated sulfonic acids" @default.
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• W2969574434 doi "https://doi.org/10.1016/j.chemosphere.2019.124615" @default.
• W2969574434 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/31454742" @default.
• W2969574434 hasPublicationYear "2020" @default.
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