A Coarse Grained Molecular Dynamics Model for the Simulation of Lubricating Greases

The rheological properties of lubricating greases are determined by the viscosity of the base oil, the interaction between base oil and thickener, and the interaction between thickener particles. The contribution of the oil–thickener interactions to the viscosity is well known, but the contribution of the thickener–thickener interactions has not yet been studied by employing theoretical or computational frameworks. In this paper, we use coarse-grained molecular dynamics to simulate a fibrous microstructure, and we show that the experimentally observed viscoelastic/plastic behaviour can be well reproduced. A parametric study shows that the apparent viscosity increases with increasing fibre length, fibre stiffness and thickener concentration. This is as expected, showing that this modelling approach is useful to study effects on grease rheology that are not accessible experimentally, such as impact of fibre entanglement or agglomeration.