Volumetric, Ultrasonic, Spectroscopic, and Molecular Dynamics Simulations Studies of Molecular Interactions in Binary Mixtures of [Emim][NTf2] with 2‑Propoxyethanol at Temperatures from 298.15 to 318.15 K

To know the molecular interaction pattern between the IL 1-ethyl-3-methylimidazolium bis­(trifluoromethylsulfonyl)­imide, [Emim]­[NTf2], and organic solvent 2-propoxyethanol (2-PE), a detailed thermophysical study was conducted at a temperature range of 298.15–318.15 K, over the whole composition range of the mixture and atmospheric pressure. Further, the excess parameters like excess molar volume (V m E), excess isentropic compressibility (κs E), excess isobaric thermal expansion coefficient (αP E), deviation in refractive index (Δ⌀ n D), and partial molar quantities are obtained from the experimental values. To confirm the excess parameters obtained from the experimental values, these were checked with Redlich–Kister polynomial type equation. It was observed that in the binary system of [Emim]­[NTf2] and [2-PE] there are strong attractive forces at the IL-rich region. Finally, the microscopic interactions were also confirmed with ATR-FTIR spectra and molecular dynamics simulation studies.