Iodide-based ionic liquids have been widely employed as iodide sources in electrolytes for
applications utilizing the triiodide/iodide redox couple. While adding a low-viscosity solvent …

This paper describes molecular dynamics (MD) simulations of three ionic liquid (IL)/water
mixtures at various water mole fractions: 1-butyl-3-methylimidazolium (BMIM+)/BF4−, 1-octyl …

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 …

Extended X-ray absorption fine structure (EXAFS) spectroscopy is employed, in conjunction
with molecular dynamics (MD) simulations, to investigate the interaction of water with the Br …

The structural and dynamic properties of 1-butyl-3-methylimidazolium bromide ([C4mim]
Br)/water mixtures with different molar ratios have been investigated using classical …

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 …

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 …

Ionic liquids (ILs) show a promising future as electrolytes in electrochemical devices. In
particular, IL-based electrolytes bring operations at extreme temperatures to realization that …

The recalcitrance of lignocellulosic biomass poses a major challenge that hinders the
economical utilization of biomass for the production of biofuel, plastics, and chemicals. Ionic …

The structures of mixtures of ionic liquids (ILs) featuring a common 1-butyl-3-
methylimidazolium ([C4C1im]+) cation but different anions have been investigated both …