Tribochemical mechanism of ionic liquid P6,6,6,14BEHP on ferrous surfaces

XP Ruan and XM Wang and Y Zhao and R Zhou and LY Bao and F Zhou and ZB Lu, TRIBOLOGY INTERNATIONAL, 208, 110643 (2025).

DOI: 10.1016/j.triboint.2025.110643

The tribochemical reactions between P6,6,6,14BEHP ionic liquid and ferrous surfaces are studied using reactive molecular simulations. The chemisorbed films initially develop through Fe-C, Fe-O, and Fe-P bonding, followed by decomposition of P6,6,6,14BEHP generating free radicals, anions, and cations. Eventually, the cross-polymerization among P6,6,6,14+, BEHP- and their decomposition products leads to the tribofilm growth. The presence of base oil decreases the tribochemical reaction rate, it does not significantly alter the reaction pathways. And higher temperature significantly promotes tribochemical reactions rate, while the effect of normal stress is minimal and irregular. Furthermore, an electric field can direct reactive molecular species toward the substrate, thus, intensify the tribochemical reactions, and reduce the shear stress by improving the mobility of molecules. This work offers a comprehensive understanding of P6,6,6,14BEHP tribofilm formation on ferrous interfaces.

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