Dynamical Behavior and Local Interactions in a Binary Mixture between Room-Temperature Ionic Liquid and Organic Solvent.

ABSTRACT: Elucidation of innate interactions between room-temperature ionic liquids (RTILs) and organic solvents can enable the effective use of binary solvent systems, particularly in electrotunable lubricants, electrolytes in energy storage devices, solvents for synthesis, and catalysis, where solubility and ion concentration are key to achieving optimal performance. Molecular dynamics simulations using a polarizable force field and a non-polarizable force field for 1-ethyl-3-methylimidazolium bis(trifluoromethyl sulfonyl)-imide ([C₂mim]-[NTf₂]) mixed with dimethyl sulfoxide (DMSO) have been carried out. Trends in local structure and dynamics behavior as a function of the mole fraction of DMSO (x _DMSO) were examined. The cis-trans conformationa

SUBMITTER: Armstrong M 

PROVIDER: S-EPMC12756747 | biostudies-literature | 2025 Dec

REPOSITORIES: biostudies-literature