We performed molecular dynamics (MD) simulations of ionic liquid (IL)–water mixtures to
investigate the effects of water addition. The IL cation 1-butyl-3-methylimidazolium ([C4mim]) …

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 …

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 …

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 …

How to completely remove the water from ionic liquids (ILs) is difficult for researchers
because of the hygroscopicity of ILs. In order to study the hygroscopicity of ILs, two kinds of …

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 …

Molecular dynamics simulations have been carried out to investigate nanostructural
organization in mixtures of 1-octyl-3-methylimidazolium nitrate ionic liquid and water at …

Water interactions in 1-ethyl-3-methylimidazolium acetate ([emim][CH3COO]) were studied
utilizing classical and ab initio simulation methods. The self-diffusivities for water and the …

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 …

Molecular dynamics simulations were performed for aqueous solutions of five ionic liquids
(ILs): 1-ethyl-3-methylimidazolium ([C2mim]) bis (trifluoromethanesulfonyl) imide ([NTf2]), 1 …