Review of Molecular Dynamics Simulations of Phosphonium Ionic Liquid Lubricants

نویسندگان

چکیده

Phosphonium ionic liquids (ILs) have various uses, including as environmentally benign lubricants and lubricant additives. The properties behavior of these ILs depend on their chemical composition, i.e., cation anion combination, the operating conditions. One approach to understanding relationships between conditions, lubricant-relevant is classical molecular dynamics simulation. Although this research area still emerging, it growing rapidly, so a review topic timely. Here, we force field-based simulations phosphonium ILs, with emphasis physical, chemical, thermal relevant lubricants. Properties reported in previous studies are density, viscosity, self-diffusivity, conductivity, heat capacity, stability, well interactions other compounds, $$\mathrm {H_2O}$$ {CO_2}$$ , solid surfaces. effects cation, conditions such temperature, identified analyzed terms anion-cation structure, orientation, interactions. Finally, trends summarized opportunities for future identified.

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ژورنال

عنوان ژورنال: Tribology Letters

سال: 2022

ISSN: ['1023-8883', '1573-2711']

DOI: https://doi.org/10.1007/s11249-022-01583-6