Theoretical Description of Ionic Liquids

Ionic liquids (ILs) are often regarded as future-oriented materials with applications in a variety of sectors. The capacity to apply an electrical charge, a broader temperature spectrum in the liquid state, an extremely low vapor pressure, no ignitability, and a large capacity to disband chemical components in a different preferential form on the given IL are all factors that contribute to the IL's high application interest. Despite their unique features, only a few have made it to the industrial scale thus far, owing to a lack of experimental data and the high value that ILs have gained in recent years due to their ability to be employed on large scales. Theoretical models of ILs are becoming more significant in determining the behavior of these novel materials and interpreting experimental results. In this chapter, we will review theoretical approaches in general and how they are applied to ILs, as well as the extractions, properties, and green natures of pure ILs.