Please use this identifier to cite or link to this item:
http://hdl.handle.net/10773/20827
Title: | Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water: Measurements and COSMO-RS modelling |
Author: | Khan, Imran Taha, Mohamed Pinho, Simao P. Coutinho, Joao A. P. |
Keywords: | DILUTION ACTIVITY-COEFFICIENTS PHYSICAL-PROPERTIES CARBON-DIOXIDE IMIDAZOLIUM MIXTURES EXTRACTION EQUILIBRIA SOLVENT SYSTEMS CATION |
Issue Date: | 2016 |
Publisher: | ELSEVIER SCIENCE BV |
Abstract: | Looking for a better knowledge concerning water and ionic liquids (ILs) interactions, a systematic study of the activity coefficients of water in pyridinium, pyrrolidinium and piperidinium-based ILs at 298.2 K is here presented based on water activity measurements. Additionally, the study of the structural effects of the pyridinium-based cation is also pursued. The results show that non-aromatic ILs are interacting more with water than aromatic ones, and among the ortho, meta and para isomers of 1-butyl-methylpyridinium chloride, the ortho position confers a more hydrophilic character to that specific IL. The physical chemistry of the solutions was interpreted based on dissociation constants, natural bond orbitals and excess enthalpies providing a sound basis for the interpretation of the experimental observations. These results show that hydrogen bonding controls the behavior of these systems, being the anion-water one of the most relevant interactions, but modulated by the anion cation interactions. (C) 2016 Elsevier B.V. All rights reserved. |
Peer review: | yes |
URI: | http://hdl.handle.net/10773/20827 |
DOI: | 10.1016/j.fluid.2016.01.014 |
ISSN: | 0378-3812 |
Publisher Version: | 10.1016/j.fluid.2016.01.014 |
Appears in Collections: | CICECO - Artigos |
Files in This Item:
File | Description | Size | Format | |
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Interactions of pyridinium pyrrolidinium or piperidinium based ionic liquids with water Measurements and COSMO-RS modelling_10.1016j.fluid.2016.01.014.pdf | 1.23 MB | Adobe PDF |
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