Gas—liquid interfaces of room temperature ionic liquids

Abstract

The structure of the gas-liquid surface of dimethylimidazolium chloride has been studied using atomistic simulation. We find that there is a region of enhanced density immediately below the interface in which the cations are oriented with their planes perpendicular to the surface and their dipoles in the surface plane. There is negligible segregation of cations and anions. The temperature dependence of the surface tension is predicted to be anomalously low or be reversed in sign. The vapour-liquid interfaces between mixtures of water and dimethylimidazolium chloride show similar regions of enhanced density and preferential orientation of the cations. Water molecules also show preferential orientation in the interface region and are preferentially adsorbed on the vapour side of the interface. The surface tension decreases with increase in the mole fraction of water.