Liquid–Liquid Extraction of Furfural from Water by Hydrophobic Deep Eutectic Solvents: Improvement of Density Function Theory Modeling with Experimental Validations
Kyle McGaughy, M. Toufiq Reza
Abstract
-alkyl ammonium salts ranging from tetramethyl- to tetraoctylammonium bromide were considered in the computational model, only pentyl- and longer alkyl chains displayed hydrophobic behavior with less than 1% salt loss to the aqueous phase. However, there was still significant water uptake in the eutectic phase (final phase composition containing greater than 60 mol and 12% by mass) for the hydrophobic DES.
Topics & Concepts
Eutectic systemChemistryHydrogen bondAlkylAqueous solutionFurfuralDeep eutectic solventBromideIntermolecular forceIonic liquidSolventSolvationHydrophobic effectPhase (matter)Chemical engineeringInorganic chemistryOrganic chemistryMoleculeCatalysisAlloyEngineeringIonic liquids properties and applicationsChemical and Physical Properties in Aqueous SolutionsSurfactants and Colloidal Systems