Related papers: Impact of molecular structure on the lubricant squ…
UiO-66 is a well-known metal organic framework that proved to be promising for various separation applications. In this report we study the molecular mobility and transport of n-butane and isobutane through the UiO-66. We show that n-butane…
Ionic liquids have generated interest in applications as lubricants and as additives to conventional lubricants due to their unique physical properties. In these applications, the liquid thin film can be subjected simultaneously to…
Ionic liquids, salts in the liquid state under ambient conditions, are of great interest as precision lubricants. Ionic liquids form layered structures at surfaces, yet it is not clear how this nano-structure relates to their lubrication…
Despite the extensive research that has been conducted for decades on the behavior of confined liquids, detailed knowledge of this phenomenon, particularly in the mixed/boundary lubrication regime, remains limited. This can be attributed to…
With the help of a simple two-dimensional model we simulate the tribological properties of a thin lubricant film consisting of linear (chain) molecules in the ordinary soft-lubricant regime. We find that friction generally increases with…
When fluid is confined between two molecularly smooth surfaces to a few molecular diameters, it shows a large enhancement of its viscosity. From experiments it seems clear that the fluid is squeezed out layer by layer. A simple solution of…
Liquid crystals have emerged as potential candidates for next-generation lubricants due to their tendency to exhibit long-range ordering. Here, we construct a full atomistic model of 4-cyano-4-hexylbiphenyl (6CB) nematic liquid crystal…
All-atom molecular dynamics simulations of an elastohydrodynamic lubrication oil film are performed to study the effect of pressure. Fluid molecules of n-hexane are confined between two solid plates under a constant normal force of 0.1--8.0…
In the current work we present a new modelling approach for simulating meso-scopic phenomena related to lubrication of the piston ring-cylinder liner contact. Our geometry allows a variable confinement gap and a varying amount of lubricant…
We perform drainage experiments of a linear alkane fluid (n-hexadecane) down to molecular thicknesses, and focus on the role played by the confinement rate. We show that molecular layering is strongly influenced by the velocity at which the…
It is proposed that lubricant molecules adsorbed on an interface between two asperities in contact, which is rough on the atomic scale, can switch the interface from the strong to weak pinning regime, resulting in a large reduction in the…
A theoretical model is proposed for low temperature friction between two smooth rigid solid surfaces separated by lubricant molecules, admitting their deformations and rotations. Appearance of different modes of energy dissipation (by…
Hydrocarbon films confined between smooth mica surfaces have long provided an experimental playground for model studies of structure and dynamics of confined liquids. However fundamental questions regarding the phase behavior and shear…
We present a detailed $^{2}$H NMR characterization of molecular mobility of 1-butene and n-butane propagating through the microporous ZIF-8, a zeolitic imidazolate framework renowned for its outstandingly high stability and separation…
Molecular dynamics study of a thin (one to five layers) lubricant film between two substrates in moving contact are performed using Langevin equations with an external damping coefficient depending on distance and velocity of atoms relative…
We report measurements of the normal surface forces and friction forces between two mica surfaces separated by a nano-film of dicationic ionic liquid using a Surface Force Balance. The dicationic ionic liquid…
We have performed molecular dynamics simulations of solid-solid contacts lubricated by a model fluid displaying many of the properties of water, particularly its expansive freezing. Near the region where expansive freezing occurs, the…
Using non-equilibrium molecular dynamics simulations and a coarse grained model of ionic liquids, we have investigated the impact that the shape and the intramolecular charge distribution of the ions have on the electrotuneable friction…
Here we present a computational study of the thermodynamic and structural properties of bulk and confined (1,1,1,3,3-pentafuorobutane) with different lengths of the carbon backbone. The DREIDING force field model has been used in the method…
We present a molecular dynamics study of the effects of confinement on the lubrication and flow properties of ionic liquids. We use a coarse-grained salt model description of ionic liquid as a lubricant confined between finite solid plates…