Carbon
Modelling gas solubility in imidazolium ionic liquids
A molecular model for the solubility of CO2, H2 and Xe in a family of imidazolium ionic liquids with the Tf2N anion.
Ionic liquids are salts that remain liquid at room temperature. Their ability to dissolve gases makes them interesting for separation and capture, but the solubility depends on the cation, the anion and the conditions.
The study models the solubility of three gases in a family of ionic liquids. A model that captures the trends across the family can reduce the number of experiments needed to screen a new liquid for a particular separation.