Ionic liquids (ILs) gained a lot of attention, from both academe and industry, as alternative
liquids for different types of applications. Chemical and physical characteristics can be …

Ionic liquids (ILs) have attracted great attention, from both industry and academia, as
alternative fluids for very different types of applications. The large number of cations and …

The simultaneous interaction of thiophene and pyridine with different ionic liquids: 1‐butyl‐1‐
methylpyrrolidinium tetrafluoroborate ([BPYRO][BF4]), 1‐butyl‐1‐methylpyrrolidinium …

This paper reports a comprehensive evaluation of the conductor-like screening model for
real solvents (COSMO-RS) in predicting infinite dilution activity coefficients (γ∞) of …

Ab initio studies were carried out with mixtures containing ionic liquid with thiophene and
pyridine for studying the simultaneous interaction. Global scalar properties such as …

Unlimited number of permutations with respect to cation and anion combinations of ionic
liquids as well as large number of existed azeotropic mixtures cause experimentally …

The aim of the paper is to address all the disadvantages of currently available models for
calculating infinite dilution activity coefficients (γ∞) of molecular solutes in ionic liquids …

The adjustable parameters in the popular conductor-like screening model for real solvents
(COSMO-RS) within the Amsterdam density functional (ADF) framework have been re …

The octanol–water partition coefficient (K ow) of ionic liquids (ILs) is an important indicator
for its toxicity and environment impact. In this work, the K ow is determined from the ratio of …

A combined classical molecular dynamics (MD) and ab initio MD (AIMD) method was
developed for the calculation of electrochemical windows (ECWs) of ionic liquids. In the …