Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids

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abstract

Despite many previous important contributions to the characterization of the liquid-liquid phase behavior of ionic liquids (ILs) plus water systems, a gap still exists as far as the effect of isomers (of ILs) is concerned Therefore in this work, a comprehensive study of the liquid-liquid equilibria between water and isomeric pyridinium-based ionic liquids has been performed Atmospheric pressure mutual solubilities between water and pyridinium-based ionic liquids combined with the common anion bis[(trifluoromethyl)sulfonyl]imide were experimentally determined between (288 15 and 318 15) K The main goal of this work is to study the isomeric effects on the pyridinium-based cation namely, the structural and positional isomerism, as well as the alkyl side chain length To the best of our knowledge the influence of both structural and positional isomerism on the liquid-liquid behavior in ionic-liquid-water-containing systems is an unexplored field and is here assessed for the first time Moreover, from the experimental solubility data several infinite dilution molar thermodynamic functions of solution, namely the Gibbs energy, the enthalpy, and the entropy were estimated and discussed In addition, aiming at gathering a broader picture of the underlying thermodynamic solvation phenomenon molecular dynamics simulations were also carried out for the same experimental systems

keywords

MOLECULAR-FORCE FIELD; PHASE-EQUILIBRIA; ORGANIC-SOLVENTS; AQUEOUS-SOLUTIONS; PLUS WATER; PYRIDINIUM; IMIDAZOLIUM; TEMPERATURE; DYNAMICS; BEHAVIOR

subject category

Chemistry

authors

Freire, MG; Neves, CMSS; Shimizu, K; Bernardes, CES; Marrucho, IM; Coutinho, JAP; Lopes, JNC; Rebelo, LPN

our authors

foto Catarina Maia Seco Seiça Neves

Catarina Maia Seco Seiça Neves

Assistant Researcher
foto Isabel Maria Delgado Jana Marrucho Ferreira

Isabel Maria Delgado Jana Marrucho Ferreira

Full professor
foto João Manuel Costa Araújo Pereira Coutinho

João Manuel Costa Araújo Pereira Coutinho

Director
foto Mara Guadalupe Freire Martins

Mara Guadalupe Freire Martins

Coordinating Researcher

Groups

G4 - Renewable Materials and Circular Economy
G5 - Biomimetic, Biological and Living Materials

Projects

Vapour Liquid Equilibrium of Pure Ionic Liquids and their Mixtures with Organic Solvents (PTDC/EQU-FTT/65252/2006)

acknowledgements

The authors thank FC&T for Project PTDC/EQU-FTT/65252/2006 MGF CMSSN, KS and CB acknowledge grants SFRH/BPD/41781/2007 SFRH/BD/70641/2010, SFRH/BPD/38339/2007, and SFRH/BPD/43346/2008 respectively

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Publication Details

type
Journal Article
year
2010
journal
JOURNAL OF PHYSICAL CHEMISTRY B
volume
114
publisher
AMER CHEMICAL SOC
issn
1520-6106
issue
48
digital object identifier
10.1021/jp1093788
web of science article identifier
WOS:000284738800024

Journal Metrics (JCR 2019)

Journal Impact Factor
2.857
Journal Impact Factor (5 yrs)
2.88
category normalized journal percentile
50.629

Citations

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