A New Group Contribution Method For Prediction of Density of Pure Ionic Liquids over a Wide Range of Temperature and Pressure

Abstract

A detailed knowledge of reliable data on physical properties of ionic liquids (ILs) is of great importance, because ILs are still considered as potential replacements for volatile organic solvents in modern and sustainable (“greener”) processes of chemical industry. In particular, liquid density is a very important property that is required in many design problems of chemical engineering and material science. Therefore, development of new methods for estimation of density of ILs is essential. In this work we propose a new method based on generalized empirical correlation and group contributions. It was developed based on a comprehensive database of experimental data containing over 18500 data points for a great variety of 1028 ILs. The collected data covers temperature and pressure ranges of 253–473 K and 0.1–300 MPa, respectively. Molar volume at reference temperature (298.15 K) and pressure (0.1 MPa) was assumed to be additive with respect to defined set of both cationic and anionic functional groups, w...