‘Triangle Ester’ Molecules as Blending Components in Mineral Oil: A Theoretical and Experimental Investigation

Abstract

The present work explored the use of fatty acid ‘Triangle ester’ molecules (Epoxidized Ester (EE), and Thiirane Ester (TE)) as antifriction and antiwear additives at varying levels for Group I and Group II mineral base oils using the standard ASTMD-4172B four-ball test. Relative to neat base oil, EE blends showed improved antifriction by ~61% and ~42% and antiwear properties by ~32% and ~41% in Group I and Group II base oils, respectively, while the TE blends showed friction reduction by ~65% and ~40% and wear reduction by ~93% and ~50% relative to the same neat base stock. Time evolution of the ‘Triangle ester’ molecules and their blends with mineral oil (modeled as hexadecane) w.r.t. conformational changes, adsorption energy, intermolecular energy, and effect of the applied stress were estimated theoretically using MD simulations. Further, optimized levels of these additives were explored for their effectiveness as a blending component for commercial engine oil (CEO) and could reduce the friction and wear of CEO by ~50% and ~30%, respectively.