Hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systems

Physical Chemistry Chemical Physics : PCCP
Helena PassosJoão A P Coutinho

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 (EHB) 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.

References

May 2, 2002·Journal of the American Chemical Society·Richard P SwatloskiRobin D Rogers
Jan 30, 2007·The Journal of Physical Chemistry. B·Joana R TrindadeLuis P N Rebelo
Jun 19, 2008·The Journal of Organic Chemistry·Thomas P WellsTom Welton
Dec 17, 2008·The Journal of Physical Chemistry. B·Mara G FreireJoão A P Coutinho
Mar 25, 2009·The Journal of Physical Chemistry. B·Catarina M S S NevesJoão A P Coutinho
Jun 13, 2009·The Journal of Physical Chemistry. B·Sónia P M VenturaJoão A P Coutinho
Feb 11, 2010·Physical Chemistry Chemical Physics : PCCP·José PalomarFrancisco Rodríguez
May 19, 2010·International Journal of Molecular Sciences·Cláudia L S LourosJoão A P Coutinho
Jun 4, 2010·The Journal of Physical Chemistry. B·Shruti TrivediSiddharth Pandey
Jan 12, 2011·The Journal of Physical Chemistry. B·Jelliarko PalgunadiHoon Sik Kim
Aug 19, 2011·The Journal of Physical Chemistry. B·Ana Filipa M CláudioJoão A P Coutinho
Aug 23, 2011·Physical Chemistry Chemical Physics : PCCP·M A Ab RaniR Wilding
May 19, 2012·The Journal of Physical Chemistry. B·Shahla ShahriariJoão A P Coutinho
Jun 12, 2012·The Journal of Physical Chemistry. B·Mara G FreireLuís Paulo N Rebelo
Jun 14, 2012·Chemical Society Reviews·Mara G FreireLuís Paulo N Rebelo
Jan 18, 2013·The Journal of Physical Chemistry. B·Renato ContrerasAndrea Cerda-Monje
Jun 12, 2013·Physical Chemistry Chemical Physics : PCCP·Heiko NiedermeyerPatricia A Hunt
Dec 18, 2013·The Journal of Physical Chemistry. B·Kiki A KurniaJoão A P Coutinho
Feb 27, 2014·Physical Chemistry Chemical Physics : PCCP·Ana Filipa M CláudioMara G Freire
Jul 2, 2015·Physical Chemistry Chemical Physics : PCCP·Kiki A KurniaMara G Freire
Sep 18, 2015·Green Chemistry : an International Journal and Green Chemistry Resource : GC·Teresa B V DinisMara G Freire
Oct 27, 2015·The Journal of Physical Chemistry Letters·Sergey A KatsyubaPaul J Dyson
Apr 14, 2017·Physical Chemistry Chemical Physics : PCCP·Pedro P MadeiraMara G Freire
Mar 16, 2018·Physical Chemistry Chemical Physics : PCCP·Helena PassosJoão A P Coutinho

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Citations

Aug 30, 2019·Molecules : a Journal of Synthetic Chemistry and Natural Product Chemistry·Hancheng ZhouYanbin Wang
May 15, 2021·The Journal of Physical Chemistry. B·Nicolas DubouisAlexis Grimaud

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Software Mentioned

TURBOMOLE
COnductor Screening MOdel for Real Solvents ( COSMO - RS )
thermX
RS
COSMO

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