Fenton reaction mechanism generating no OH radicals in Nafion membrane decomposition.

ABSTRACT: Mechanism of Fenton reaction, which is a most widely-used degradation test for organic materials using hydrogen peroxide (H[Formula: see text]O[Formula: see text]) and iron (Fe) cations, is revealed for the decomposition of hydrated Nafion membrane. This reaction mechanism has been assumed to generate OH radicals. For a doubly-hydrated Nafion membrane model, Fenton reaction with divalent and monovalent Fe (Fe[Formula: see text] and Fe[Formula: see text]) cation hydration complexes is explored for experimentally-supported hydration numbers using long-range correction for density functional theory. As a result, it is found that H[Formula: see text]O[Formula: see text] coordinating to the Fe[Formula: see text] hydration complexes first approaches Nafion side chains in high humidity, then lead

SUBMITTER: Tsuneda T 

PROVIDER: S-EPMC7584670 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature