Elucidation of the temperature responsive solubility of ionic liquids in acidic aqueous solutions
What is it about?
Thermo-responsive systems are ideal for application in flexible and integrated extraction–separation platforms. In this work, the effects of [P44414]Cl self-aggregation, HCl concentration and temperature in driving phase separation in AcABS are investigated through a mixed experimental and computational approach.
Why is it important?
This work reports the development and validation of a novel and transferrable coarse grained MARTINI model for the [P44414]Cl ionic liquid suitable to perform large and long classical molecular dynamics simulations. The simulations of the acidic aqueous biphasic system (AcABS) and its aqueous biphasic system (ABS) counterpart using NaCl were performed in this work to provide a molecular understanding of the experimentally observed differences between AcABS and ABS formation. The experimental results of AcABS based on HCl/[P44414]Cl/H2O were obtained across a range of temperatures, acid and IL concentrations.
The following have contributed to this page: José Gomes
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