A Quantum Chemical Study on the Interaction of BF₃ and Hydroxyl Groups with Two Model Perfluoroethers

Abstract

A quantum chemical computational study was performed on the interaction of BF₃ (a strong Lewis acid) and various OH groups, with perfluorodimethylether (PDME) and perfluorodiethylether (PDEE). The focus of this study was to gain insight on the decomposition of model perfluoro ethers on dehydroxylated alumina surfaces in order to understand the decomposition of perfluoropolyalkylether (PFPE) liquid lubricants under tribological conditions. The results indicated that surface Lewis acid sites were not responsible for perfluoroether decomposition and that surface OH groups could be involved.

Presented as a Society of Tribologists and Lubrication Engineers paper at the STLE/ASME Tribology Conference in Kissimmee, Florida, October 8–11, 1995

KEY WORDS:

• Additive Effects
• Decomposition
• Synthetic Lubricants

Notes

Presented as a Society of Tribologists and Lubrication Engineers paper at the STLE/ASME Tribology Conference in Kissimmee, Florida, October 8–11, 1995