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 …

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 …

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 …

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 have performed classical molecular dynamics to study the properties of a water-miscible
and a water-immiscible room-temperature ionic liquid when mixed with small quantities of …

The sensitivity of ionic liquids (ILs) to water affects their physical and chemical properties,
even at relatively low concentrations, yet the structural thermodynamics of protic IL–(PIL−) …

Whether an ionic liquid (IL) is water-miscible or immiscible depends on the particular ions
that constitute it. We propose an explanation, based on molecular simulations, how ions …

Molecular dynamics simulations of mixtures of 1, 3-dialkyl imidazolium ionic liquids and
water have been performed in order to investigate the microscopic physical properties as a …

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]+ …

Although the “like-dissolves-like” rule is often invoked to explain why sodium chloride
dissolves in water, hidden behind this explanation is the delicate balance between the very …