Chemical potentials of water and organic solutes in imidazolium ionic liquids: a simulation study

TLDR: In this article, the excess chemical potentials of a series of molecules dissolved in the ionic liquid dimethyl imidazolium chloride have been determined by series of transformations, and the molecules are water, methanol, dimethyl ether, acetone and propane.

Abstract: The excess chemical potentials of a series of molecules dissolved in the ionic liquid dimethyl imidazolium chloride have been determined by a series of transformations. The molecules are water, methanol, dimethyl ether, acetone and propane. Water and methanol have large negative values of the excess chemical potential (-29kJmol−1 and — 14kJ mol−1 respectively); the polar molecules dimethyl ether and acetone have positive values of about 7kJmol−1 while the value for propane is +26 kJ mol−1. Hydrogen bonding to the anion plays an important part in the stabilization of water and methanol.