The most commonly used treatment method for perfluoroalkyl substances (PFAS) is by adsorption to granular activated carbon, which is then incinerated at high temperatures. PFAS Incineration produces a series of volatile fluorocarbon products that also can be harmful to the environment. However, little is known about the chemistry underlying thermal decomposition of PFAS. Computational models of PFAS decomposition reactions can provide guidance for optimizing incineration conditions to increase efficiency and minimize undesirable by-products. We have conducted density functional theory (DFT) calculations of various gas-phase decomposition mechanisms of short-chain (1-4 carbon atoms) perfluoroalkyl sulfonic acids. We also follow secondary decomposition reactions of the resulting perfluoroacyl fluorides, perfluoroalcohols and perfluoroalkenes, and discuss the dependence of activation and reaction energies on chain length.

Thermal decomposition of short-chain perfluoroalkyl sulfonic acids

ACS Spring Meeting 2021

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