authors |
Khan, I; Taha, M; Pinho, SP; Coutinho, JAP |
nationality |
International |
journal |
FLUID PHASE EQUILIBRIA |
author keywords |
Activity coefficient; Water activity; COSMO-RS; Hydrogen bonding; Excess enthalpy |
keywords |
DILUTION ACTIVITY-COEFFICIENTS; PHYSICAL-PROPERTIES; CARBON-DIOXIDE; IMIDAZOLIUM; MIXTURES; EXTRACTION; EQUILIBRIA; SOLVENT; SYSTEMS; CATION |
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. |
publisher |
ELSEVIER SCIENCE BV |
issn |
0378-3812 |
year published |
2016 |
volume |
414 |
beginning page |
93 |
ending page |
100 |
digital object identifier (doi) |
10.1016/j.fluid.2016.01.014 |
web of science category |
Thermodynamics; Chemistry, Physical; Engineering, Chemical |
subject category |
Thermodynamics; Chemistry; Engineering |
unique article identifier |
WOS:000372686200011
|