2010
DOI: 10.1149/1.3484818
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Semi-Empirical Molecular Modeling Methods of Ionic Liquid Tribology: Ionic Liquid-Hydroxylated Silicon Surface Interactions

Abstract: The interactions between eight ionic liquids and a rolling hydroxylated silicon surface are modeled in this report using various semi-empirical methods. The eight modeled ionic liquids consist of two sets for four ionic liquids from separate tribology studies. The first set of four ionic liquids contain the 1-butyl-3-methyl imidazolium cation (BMIM+) and include BMIM+-BF4-, BMIM+-NO3-, BMIM+-PF6- and BMIM+-ClO4-. The second set of ionic liquids contains the 1-methyl-3-X imidazolium cation and a Cl- anion. … Show more

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