resumo
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 (E-HB) 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.
palavras-chave
SOLVATOCHROMIC COMPARISON METHOD; COSMO-RS; PI-STAR; EXTRACTION; SCALE; ENERGY; WATER; SOLVATION; SOLVENTS; POLARITY
categoria
Chemistry; Physics
autores
Passos, H; Dinis, TBV; Claudio, AFM; Freire, MG; Coutinho, JAP
nossos autores
Ana Filipa M. Cláudio
Bolseiro de pós-Doutoramento
Helena Passos
Investigador
João Manuel Costa Araújo Pereira Coutinho
Vice-Diretor
Mara Guadalupe Freire Martins
Investigador Coordenador
Teresa B. V. Dinis
Estudante de doutoramentoGrupos
4 - biorrefinarias, materiais de origem biológica e reciclagem
5 - materiais biomédicos e biomiméticos
Projectos
CICECO - Aveiro Institute of Materials (UID/CTM/50011/2013)
MultiBiorefinery - Multi-purpose strategies for broadband agro-forest and fisheries by-products valorization: a step forward for a truly integrated biorefinery (SAICTPAC/0040/2015)
Igy Technology: A Purication Platform using Ionic-Liquid-Based Aqueous Biphasic Systems (IGYPURTECH)
agradecimentos
This work was developed in the scope of the project CICECO-Aveiro Institute of Materials (Ref. FCT UID/CTM/50011/2013) and PAC MultiBiorefinery SAICTPAC/0040/2015 (POCI-01-0145-FEDER-016403), financed by national funds through the FCT/MEC and when applicable co-financed by FEDER under the PT2020 Partnership Agreement. The authors also acknowledge FCT for the PhD grants SFRH/BD/85248/2012 and SFRH/BD/130958/2017 of H. Passos and T. B. V. Dinis, respectively. M. G. Freire acknowledges the European Research Council under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement no. 337753.