Partitioning of butanol between a hydrophobic ionic liquid and aqueous phase: Insights from Liquid Liquid Equilibria measurements and Molecular Dynamics simulations

This work investigates the effectiveness of 1-methyl-3-octylimidazolium null bis null (trifluoromethylsulfonyl) imide, [OMIM] [Tf 2 N] as a solvent to recover 1-butanol from aqueous stream. The solvent [OMIM] [Tf 2 N] (1.320 g/cm 3 ) possessed a higher density and formed two clear and distinct phases after extraction. Both Liquid-Liquid Equilibrium (LLE) experimental studies and Molecular Dynamic (MD) simulation were carried out for [OMIM] [Tf 2...