A Fluctuation Equation of State for Prediction of High-Pressure Densities of Ionic Liquids

• Published in: Scientific reports Vol. 7; no. 1; pp. 5563 - 9
• Main Authors: Chorążewski, Mirosław, Postnikov, Eugene B., Jasiok, Bernadeta, Nedyalkov, Yuriy V., Jacquemin, Johan
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 17.07.2017; Nature Publishing Group; Nature Portfolio
• Subjects: 639/638/440/951; 639/766/530/951; 639/766/94; Chemical Sciences; Compressibility; Humanities and Social Sciences; Ions; multidisciplinary; or physical chemistry; Science; Science (multidisciplinary); Solvents; Theoretical and; temperature; ionic liquids; pressure; volumetric properties; Fluctuation Theory-based Tait-like Equation of State
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-017-06225-9

During this work, we demonstrate, for the first time, that the volumetric properties of pure ionic liquids could be truly predicted as a function of temperature from 219 K to 473 K and pressure up to 300 MPa. This has been achieved by using only density and isothermal compressibility data at atmospheric pressure through the Fluctuation Theory-based Tait-like Equation of State (FT-EoS). The experimental density data of 80 different ionic liquids, described in the literature by several research groups as a function of temperature and pressure, was then used to provide comparisons. Excellent predictive capability of FT-EoS was observed with an overall relative absolute average deviation close to 0.14% for the 15,298 data points examined during this work.