Computing Phase Behavior of Ionic Liquids Via Monte Carlo Simulations

The non-volatility of ionic liquids makes them ideal candidate for potentially replacing the volatile organic compounds often used in the chemical processes. This low volatility coupled with the thermal decomposition at elevated temperatures makes it extremely difficult to estimate or measure critical and normal boiling points, and different methods of measurement or estimation lead to very different answers. In this presentation we will present Gibbs ensemble Monte Carlo simulations to compute vapor-liquid phase envelope of selected ionic liquids.