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|Title:||Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water: Measurements and COSMO-RS modelling|
Pinho, Simao P.
Coutinho, Joao A. P.
|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.|
|Appears in Collections:||CICECO - Artigos|
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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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