A computer-driven design of green lubricant additives for lubricating oils to lengthen the lifespan of mechanical systems

A study conducted by Patrick A. Bonnaud et al. was published in Tribology International.

The reduction of wear in gears and rolling bearings lengthens the lifespan of drivetrain units in electric vehicles (eAxle), which contributes to achieving a more sustainable society. It requires the design of new organic additives for lubricating oils that form protective films on steel surfaces while remaining environmentally friendly.
In this article, we employed molecular dynamics simulations to assess how the base oil, which is the main constituent of the lubricating oil, affects the adsorption of newly designed organic additives on a model of steel surface (iron oxide). Results confirmed that, even in base oil, additives form strongly adsorbed films within which molecules are oriented so that they adequately protect surfaces from wear (additive tails tilted with respect to the surface normal). Results agree well with wear-test experiments. Our approach and findings set another stone for the building of efficient, green lubricants.

Title: Adhesion and Structure of Lubricant Films: Molecular Simulations of Amine-based Organic Additives in Base Oil at a Model of Steel Surface
Authors: Bonnaud, PA., Kinjo, T., Sato, N., Tohyama, M.
Journal Name: Tribology International
Published: 23 February 2024
https://doi.org/10.1016/j.triboint.2024.109449