Lubricant additives play a crucial role in reducing wear and enhancing performance by forming protective films on surfaces. Understanding how these additives interact with iron oxide surfaces is key to optimizing their effectiveness. Multiscale atomistic simulations provide a powerful way to study these interactions at the molecular level, offering insights into binding energy, adsorption strength, and surface coverage.

Using QuantistryLab’s Surface Adsorption Workflow, we simulated the surface adsorption of zinc dialkyldithiophosphate (ZDDP) on an iron oxide surface, revealing how it binds and contributes to film formation. These quantum chemical simulations help identify promising additives and optimize their properties for improved anti-wear performance and durability.

By leveraging high-throughput screening and additive optimization through simulations, researchers can accelerate discovery, enhance lubricant additives, and design more efficient and sustainable formulations without relying solely on trial-and-error experiments.

How can QuantistryLab’s simulations transform lubricant additive development? Read more to find out.