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

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 atmosph...

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Bibliographic Details
Published in:Scientific reports 2017-07, Vol.7 (1), p.5563-9, Article 5563
Main Authors: Chorążewski, Mirosław, Postnikov, Eugene B., Jasiok, Bernadeta, Nedyalkov, Yuriy V., Jacquemin, Johan
Format: Article
Language:English
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
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Summary: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.
ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-017-06225-9