Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water

Measurements and COSMO-RS modelling

Imran Khan, Mohamed Taha, Simão P. Pinho, João A.P. Coutinho

Research output: Contribution to journalArticle

12 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)93-100
Number of pages8
JournalFluid Phase Equilibria
Volume414
DOIs
Publication statusPublished - Apr 25 2016

Fingerprint

Ionic Liquids
Ionic liquids
Water
liquids
water
interactions
Anions
Cations
Negative ions
Positive ions
anions
Physical chemistry
cations
physical chemistry
Activity coefficients
Isomers
Chlorides
Enthalpy
Hydrogen bonds
isomers

Keywords

  • Activity coefficient
  • COSMO-RS
  • Excess enthalpy
  • Hydrogen bonding
  • Water activity

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

Interactions of pyridinium, pyrrolidinium or piperidinium based ionic liquids with water : Measurements and COSMO-RS modelling. / Khan, Imran; Taha, Mohamed; Pinho, Simão P.; Coutinho, João A.P.

In: Fluid Phase Equilibria, Vol. 414, 25.04.2016, p. 93-100.

Research output: Contribution to journalArticle

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AU - Coutinho, João A.P.

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