Self-assembly and friction of glycerol monooleate and its hydrolysis products in bulk and confined non-aqueous solvents

Joshua L. Bradley-shaw, Philip J. Camp, Peter J. Dowding, Ken Lewtas

Research output: Contribution to journalArticlepeer-review

Abstract

Atomistic molecular dynamics simulations are used to study the self-assembly and friction of glycerol monooleate mixed with with oleic acid, glycerol, calcium oleate, or water in n-heptane and toluene solvents. The aim is to determine how chemical degradation products of glycerol monooleate could lead to changes in structural and frictional properties. In bulk solution, almost all mixtures studied contain self-assembled reverse micelles. Under confinement between sheared
mica surfaces, the reverse micelles disintegrate, but the distribution of molecules between the surfaces and the centre of the fluid layer depends sensitively on the chemical composition, with more polar mixtures showing stronger adsorption. The measured kinetic friction coefficient is correlated with the extent of surface adsorption: while degradation products lead to increases in
the friction coefficient in most cases, all changes are more pronounced when there is less surface adsorption.
Original languageEnglish
JournalPhysical Chemistry Chemical Physics
Early online date22 Jun 2018
DOIs
Publication statusE-pub ahead of print - 22 Jun 2018

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