Decomposition kinetics of perfluorinated sulfonic acids

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 1..