The behavior of aqueous solutions of mixtures of ionic liquids (ILs) is of special interest
because of their amphiphilic character, from both a fundamental and application viewpoint …

We report a molecular dynamics study of the interface between water and (macroscopically)
water-immiscible room-temperature ionic liquids “ILs”, composed of PF6-anions and butyl …

The studies on ionic liquids (ILs) and their interaction with different solvents have always
been an interesting topic for experimental and computational chemists. Recently, however …

We have used molecular dynamics simulations to study the properties of three ionic liquid
(IL)–water systems: 1-butyl-3-methylimidazolium chloride ([bmim] Cl), 1-ethyl-3 …

The fundamental understanding of intermolecular interactions of ionic liquids (ILs) with water
is essential in predicting IL–water thermodynamic properties. In this study, intermolecular or …

We report a molecular dynamics study of the solvation of spherical solutes Sq of ca. 5 Å
radius in ionic liquids (ILs) based on the PF6− anion and the 1-butyl-3-methylimidazolium …

We report a Molecular Dynamics (MD) study of the interface between water and the
hygroscopic room temperature Ionic Liquid “IL”[BMI][PF6](1-butyl-3-methyl-imidazolium …

Ionic liquid mixtures have garnered significant attention due to their promising applications.
Despite this interest, there remains a limited understanding of these mixtures, particularly …

We report molecular dynamics (MD) simulations of the aqueous interface of the hydrophobic
[BMI][Tf2N] ionic liquid (IL), composed of 1-butyl-3-methylimidazolium cations (BMI+) and bis …

With the aid of ab initio molecular dynamics simulations, we investigate an ionic liquid (IL)
mixture composed of three components 1-butyl-3-methylimidazolium [C4C1Im]+ …