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Erschienen in: Tribology Letters 2/2011

01.08.2011 | Original Paper

Single-Chain Conformational Analysis on the Dynamic Main Chain Expansion of a Tethered Perfluoropolyether Boundary Lubricant Film

verfasst von: R. J. Waltman

Erschienen in: Tribology Letters | Ausgabe 2/2011

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Abstract

Ab initio quantum chemical computations on model perfluoropolyether (PFPE) boundary lubricant film structures are used to study the effect of main chain confinement on dynamic main chain expansion in the direction perpendicular to the underlying surface. The simulations are conducted on single-chain PFPE structures that contain a pendant branch in the middle of the main chain anchored to the underlying surface. Results indicate a substantial increase in the energy required to expand the branched chain compared to an identical but unbranched main chain. Conformational analyses as a function of main chain expansion indicate the removal of low energy torsional pathways in the branched main chain that could otherwise provide low energy pathways for conformational rearrangement to allow the main chain expansion.

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Metadaten
Titel
Single-Chain Conformational Analysis on the Dynamic Main Chain Expansion of a Tethered Perfluoropolyether Boundary Lubricant Film
verfasst von
R. J. Waltman
Publikationsdatum
01.08.2011
Verlag
Springer US
Erschienen in
Tribology Letters / Ausgabe 2/2011
Print ISSN: 1023-8883
Elektronische ISSN: 1573-2711
DOI
https://doi.org/10.1007/s11249-011-9796-4

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