What determines the miscibility of ionic liquids with water? Identification of the underlying factors to enable a straightforward prediction

M Klähn, C Stüber, A Seduraman… - The Journal of Physical …, 2010 - ACS Publications
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 …

On the miscibility and immiscibility of ionic liquids and water

JG McDaniel, A Verma - The Journal of Physical Chemistry B, 2019 - ACS Publications
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 …

The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood–Buff approaches

T Kobayashi, JESJ Reid, S Shimizu, M Fyta… - Physical Chemistry …, 2017 - pubs.rsc.org
We study the properties of residual water molecules at different mole fractions in
dialkylimidazolium based ionic liquids (ILs), namely 1-ethyl-3-methylimidazolium …

Residual water in ionic liquids: clustered or dissociated?

JESJ Reid, AJ Walker, S Shimizu - Physical Chemistry Chemical …, 2015 - pubs.rsc.org
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 …

Towards an understanding of the mutual solubilities of water and hydrophobic ionic liquids in the presence of salts: the anion effect

LIN Tomé, FR Varanda, MG Freire… - The Journal of …, 2009 - ACS Publications
The understanding of the specific interactions between salt ions and ionic liquids (ILs) in
aqueous solutions is relevant in multiple applications. The influence of a series of anions on …

Interactions in water–ionic liquid mixtures: comparing protic and aprotic systems

JESJ Reid, RJ Gammons, JM Slattery… - The Journal of …, 2017 - ACS Publications
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−) …

Ionic liquid/water mixtures: from hostility to conciliation

Y Kohno, H Ohno - Chemical Communications, 2012 - pubs.rsc.org
Water was originally inimical to ionic liquids (ILs) especially in the analysis of their detailed
properties. Various data on the properties of ILs indicate that there are two ways to design …

Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics study

A Chaumont, R Schurhammer… - The Journal of Physical …, 2005 - ACS Publications
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 …

Effect of the cation on the interactions between alkyl methyl imidazolium chloride ionic liquids and water

I Khan, M Taha, P Ribeiro-Claro, SP Pinho… - The Journal of …, 2014 - ACS Publications
A systematic study of the interactions between water and alkyl methyl imidazolium chloride
ionic liquids at 298.2 K, based on activity coefficients estimated from water activity …

A combined experimental and molecular dynamics study of iodide-based ionic liquid and water mixtures

SD Nickerson, EM Nofen, H Chen… - The Journal of …, 2015 - ACS Publications
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 …