Multiscale Modeling Approach to Understand Mechanism of Deposit Control by Sulfonate-Based Lubricant Detergents.

ABSTRACT: Protecting the material surfaces from deposits and insoluble sludge particles extends the engine life and reduces waste. Lubricant detergents in engine oils are essential additive technologies that prevent deposit formation in internal combustion engines. In this study, the effect of sulfonate detergent on deposit formation in a passenger car engine is investigated with experimental and multiscale molecular modeling methods to present a unified approach. First principles density-functional theory calculations, statistical sampling methods, all-atom molecular dynamics simulations, and coarse-grained simulations are examined to elucidate deposit control mechanism of sulfonate detergents. Analysis of the results reveals that sludge particles in the drain oil are similar in structure to piston

SUBMITTER: Ozdemir E 

PROVIDER: S-EPMC11411673 | biostudies-literature | 2024 Sep

REPOSITORIES: biostudies-literature