[Tf2N]-based ionic liquids for the selective liquid-liquid extraction of levulinic acid/formic acid: COSMO-RS screening and ternary LLE experimental data

Araya-Lopez, Claudio; Contreras, Javier; Merlet, Gaston; Cabezas, Rene; Olea, Felipe; Villarroel, Eduardo; Salazar, Ricardo; Romero, Julio; Quijada-Maldonado, Esteban


The separation of Levulinic (LA) acid and Formic acid (FA) from aqueous streams represents an important and challenging separation in biorefineries, where ionic liquids (ILs) provide a sustainable environment for liquid-liquid extractions of these acids. In this work, a COSMO-RS screening of bis (trifluoromethylsulfonil)imide [Tf2N] (-) based IL was first conducted and then followed by experimental validation to search for the most suitable cation for this separation. After the screening, ternary liquid-liquid equilibrium experiments at 298.15K and the subsequent data correlation using the Non-Random Two Liquid model (NRTL) were performed for future industrial implementation. Results indicated that the phosphonium cations, especially the trihexylthetradecyl phosphonium cation [P66614](+), produced the highest selectivity rates among all the experimentally measured ILs.

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Título según WOS: ID WOS:000877467700002 Not found in local WOS DB
Título de la Revista: FLUID PHASE EQUILIBRIA
Volumen: 561
Editorial: Elsevier
Fecha de publicación: 2022


Notas: ISI