We study the properties of residual water molecules at different mole fractions in
dialkylimidazolium based ionic liquids (ILs), namely 1-ethyl-3-methylimidazolium …

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 …

We have performed extensive molecular dynamic simulations to analyze the influence of
cation and anion natures, and of water concentration, on the structure and dynamics of water …

It is well known that the macroscopic physico-chemical properties of ionic liquids (ILs) are
influenced by the presence of water that strongly interferes with the supramolecular …

How do residual water molecules in ionic liquids (ILs) interact with themselves, as well as
with the ions? This question is crucial in understanding why the physical properties of ILs …

In this study we present the results of a first principles molecular dynamics simulation of a
single 1-ethyl-3-methyl-imidazolium chloride [C 2 C 1 im][Cl] ion pair dissolved in 60 water …

The ionic liquid 1-ethyl-3-methylimidazolium acetate [C2C1Im][OAc] shows a great potential
to dissolve strongly hydrogen bonded materials, related with the presence of a strong …

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]+ …

This work investigates the influence of uncharged interfaces on the distribution of water
molecules in three aqueous dialkylimidazolium-based ionic liquid mixtures at various water …

Aqueous solutions of ionic liquids are of special interest, due to the distinctive properties of
ionic liquids, in particular, their amphiphilic character. A better understanding of the structure …