abstract
Aqueous biphasic systems (ABS) composed of ionic liquids (ILs) and conventional salts have been largely investigated and successfully used in separation processes, for which the determination of the corresponding ternary phase diagrams is a prerequisite. However, due the large number of ILs that can be prepared and their high structural versatility, it is impossible to experimentally cover and characterize all possible combinations of ILs and salts that may form ABS. The development of tools for the prediction and design of IL-based ABS is thus a crucial requirement. Based on a large compilation of experimental data, a correlation describing the formation of IL-based ABS is shown here, based on the hydrogen-bonding interaction energies of ILs (E-HB) obtained by the COnductor-like Screening MOdel for Real Solvents (COSMO-RS) and the molar entropy of hydration of the salt ions. The ability of the proposed model to predict the formation of novel IL-based ABS is further ascertained.
keywords
SOLVATOCHROMIC COMPARISON METHOD; COSMO-RS; PI-STAR; EXTRACTION; SCALE; ENERGY; WATER; SOLVATION; SOLVENTS; POLARITY
subject category
Chemistry; Physics
authors
Passos, H; Dinis, TBV; Claudio, AFM; Freire, MG; Coutinho, JAP
our authors
Ana Filipa M. Cláudio
Post-doc Fellowship
Helena Isabel Sousa Passos
Junior Researcher
Mara Guadalupe Freire Martins
Coordinating Researcher
Teresa B. V. Dinis
PhD StudentGroups
G4 - Renewable Materials and Circular Economy
G5 - Biomimetic, Biological and Living Materials
Projects
CICECO - Aveiro Institute of Materials (UID/CTM/50011/2013)
Igy Technology: A Purication Platform using Ionic-Liquid-Based Aqueous Biphasic Systems (IGYPURTECH)
acknowledgements
This work was developed in the scope of the project CICECO-Aveiro Institute of Materials (Ref. FCT UID/CTM/50011/2013) and PAC MultiBiorefinery SAICTPAC/0040/2015 (POCI-01-0145-FEDER-016403), financed by national funds through the FCT/MEC and when applicable co-financed by FEDER under the PT2020 Partnership Agreement. The authors also acknowledge FCT for the PhD grants SFRH/BD/85248/2012 and SFRH/BD/130958/2017 of H. Passos and T. B. V. Dinis, respectively. M. G. Freire acknowledges the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 337753.