Molecular adsorption, self-assembly, and friction in lubricants

被引：29

作者：

Apostolo, Rui F. G. ^{[1
]}

Tsagkaropoulou, Georgia ^{[1
]}

Camp, Philip J. ^{[1
]}

机构：

[1] Univ Edinburgh, Sch Chem, David Brewster Rd, Edinburgh EH9 3FJ, Midlothian, Scotland

来源：

JOURNAL OF MOLECULAR LIQUIDS | 2019年 / 277卷

关键词：

Adsorption; Self-assembly; Friction; Lubricants; Molecular dynamics simulations; IRON-OXIDE SURFACES; DYNAMICS SIMULATIONS; FORCE-FIELD; FATTY-ACIDS; COMPUTATIONAL CHEMISTRY; STEARIC-ACID; N-ALKANES; TRANSFORMATIONS; SURFACTANTS; MICELLES;

D O I：

10.1016/j.molliq.2018.12.099

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070305 [高分子化学与物理];

摘要：

Lubricants are complex fluids consisting of a base oil and many different additives, and are used to control friction and wear between solid inorganic surfaces in relative motion. A review of recent work on molecular simulations of lubricants is given. It is shown that simulations can be used to uncover a lot of interesting behaviour, including additive adsorption, additive self-assembly, and a competition between the two. The specific examples to be discussed are: the adsorption of stearic acid and oleic acid in squalane on iron-oxide surfaces; the self-assembly of glycerol monooleate in bulk n-heptane; the adsorption and friction of glycerol monooleate in squalane on iron-oxide surfaces; and the conformations of functionalised copolymers in bulk n-heptane. The structures adopted by the additives can be correlated with the observed frictional properties, opening up the possibility of molecular-level design of new lubricants. (C) 2018 Elsevier B.V. All rights reserved.

引用

页码：606 / 612

页数：7

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