relation of certain quantum chemical parameters to lubrication behavior of solid oxides关系的某些量子化学参数固体氧化物的润滑行为.pdfVIP

Int. J. Mol. Sci. 2005, 6, 203–218 International Journal of Molecular Sciences ISSN 1422-0067 © 2005 by MDPI /ijms/ Relation of Certain Quantum Chemical Parameters to Lubrication Behavior of Solid Oxides Ali Erdemir 1, Shenghua Li 2,* and Yuansheng Jin 3 1Energy Technology Division, Argonne National Laboratory, Argonne, IL 60439, USA 2Lubricant Tribology, ChevronTexaco Global Lubricants, Richmond, CA 94802, USA 3State Key Laboratory of Tribology, Tsinghua University, Beijing 100084, CHINA *Author to whom correspondence should be addressed. Email: li_shenghua@, Shenghua_Li@, erdemir@ Received: 1 April 2005 / Accepted: 18 May 2005 / Published: 24 August 2005 Abstract: It is well-documented that certain oxides (such as Re O , B O MoO , V O , 2 7 2 3, 3 2 5 etc.) can provide friction coefficients of 0.1-0.3 to sliding surfaces at elevated tempera- tures and thus they are often referred to as lubricious oxides in the tribology literature. In a recently proposed crystal chemical model, Erdemir was able to establish a close correla- tion between the reported friction coefficients of such oxides and their ionic potentials [1]. In the present paper, we expand on this original concept and explore the relevance of two other quantum chemical parameters, electronegativity and chemical hardness, to the lu- bricity of solid oxides