Analysis of Tribology Properties of Trimethylolpropane-based Lubricant by Molecular Dynamics.

Currently, it is crucial for the lubricant formulation industry to explore cost-effective and environmentally friendly methodologies for analyzing the tribological properties of engine aviation lubricants under high-temperature and high-pressure operating conditions. This study demonstrates the feasibility of employing molecular dynamic simulations to gain essential insights into the evolution of the tribological properties of lubricants during operation. A three-layer molecular model was devised, comprising nickel aluminide molecules in the top and bottom layers, and polyol ester in the core.