국내 최대 기계 및 로봇 연구정보

기술보고서

기술보고서 게시판 내용
타이틀	Degradation of Perfluorinated Ether Lubricants on Pure Aluminum Surfaces: Semiempirical Quantum Chemical Modeling
저자	Scott M. Slaby, David W. Ewing, and Michael J. Zehe
Keyword	Quantum chemical; Lubricants; Modelling; Semiempirical; Lubrication; Perfluoroethers
URL	http://gltrs.grc.nasa.gov/reports/1997/TP-3670.pdf
보고서번호	NASA TP-3670
발행년도	1997
출처	NASA Glenn Research Center
ABSTRACT	The AM1 semiempirical quantum chemical method was used to model the interaction of perfluoroethers with aluminum surfaces. Perfluorodimethoxymethane and perfluorodimethyl ether were studied interacting with aluminum surfaces, which were modeled by a five-atom cluster and a nine-atom cluster. Interactions were studied for edge (high index) sites and top (low index) sites of the clusters. Both dissociative binding and nondissociative binding were found, with dissociative binding being stronger. The two different ethers bound and dissociated on the clusters in different ways: perfluorodimethoxymethane through its oxygen atoms, but perfluorodimethyl ether through its fluorine atoms. The acetal linkage of perfluorodimeth-oxymethane was the key structural feature of this molecule in its binding and dissociation on the aluminum surface models. The high-index sites of the clusters caused the dissociation of both ethers. These results are consistent with the experimental observation that perfluorinated ethers decompose in contact with sputtered aluminum surfaces.