Hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systems
authors Passos, H; Dinis, TBV; Claudio, AFM; Freire, MG; Coutinho, JAP
nationality International
journal PHYSICAL CHEMISTRY CHEMICAL PHYSICS
keywords SOLVATOCHROMIC COMPARISON METHOD; SOLVENT POLARITIES; WATER MIXTURES; EXTENDED SCALE; COSMO-RS; PI-STAR; EXTRACTION; ENERGY; SOLVATION; ACIDITY
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.
publisher ROYAL SOC CHEMISTRY
issn 1463-9076
year published 2018
volume 20
issue 20
beginning page 14234
ending page 14241
digital object identifier (doi) 10.1039/c8cp01401a
web of science category Chemistry, Physical; Physics, Atomic, Molecular & Chemical
subject category Chemistry; Physics
unique article identifier WOS:000433262300056

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