Please use this identifier to cite or link to this item:
Title: Hydrogen bond basicity of ionic liquids and molar entropy of hydration of salts as major descriptors in the formation of aqueous biphasic systems
Author: Passos, Helena
Dinis, Teresa B. V.
Cláudio, Ana Filipa M.
Freire, Mara G.
Coutinho, João A. P.
Issue Date: 28-May-2018
Publisher: Royal Society of Chemistry
Abstract: 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 (EHB) 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.
Peer review: yes
DOI: 10.1039/C8CP01401A
ISSN: 1463-9076
Appears in Collections:CICECO - Artigos
DQ - Artigos

Files in This Item:
File Description SizeFormat 
Manuscrito_publicado.pdf826.18 kBAdobe PDFrestrictedAccess

Formato BibTex MendeleyEndnote Degois 

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.