Recent findings about ionic liquids mixtures obtained by molecular dynamics simulation

Ionic liquids (ILs) with interesting and useful properties are usually organic salts which have an asymmetric organic cation and a wide assortment of anions. Mixing ILs and some materials like nano structures adjusts their properties positively. This paper reviews the recent computational molecular dynamics studies about mixture of ILs and some materials including carbon nanotubes (CNT), gases and water. Below we mention some reported results in this review. In the case of ILs–CNT systems, we review the behavior of ILs in the CNT dispersing. The results show that ILs cannot disperse the bundled singlewalled CNTs, but it can disperse some aggregated nonbundled ones. In the case of confined water/IL mixtures, the obtained results show that the most interaction energy value is observed in pure water and pure IL systems. It was shown in the case of absorption of gases such as SO2 by ILs systems, that the diffusion coefficient of cation in the pure ILs and IL/SO2 gas mixtures was greater than that of the anions and much less than that of the SO2 molecules. In addition, in comparison with pure ILs, the presence of SO2 leads to an increase in the diffusion coefficients, conductivity, density and heat capacity of the ionic species of the IL/SO2 gas mixtures.