Mutual Solubility of Water and Structural/Positional Isomers of N-Alkylpyridinium-Based Ionic Liquids
authors Freire, MG; Neves, CMSS; Shimizu, K; Bernardes, CES; Marrucho, IM; Coutinho, JAP; Lopes, JNC; Rebelo, LPN
nationality International
journal JOURNAL OF PHYSICAL CHEMISTRY B
keywords MOLECULAR-FORCE FIELD; PHASE-EQUILIBRIA; ORGANIC-SOLVENTS; AQUEOUS-SOLUTIONS; PLUS WATER; PYRIDINIUM; IMIDAZOLIUM; TEMPERATURE; DYNAMICS; BEHAVIOR
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
publisher AMER CHEMICAL SOC
issn 1520-6106
year published 2010
volume 114
issue 48
beginning page 15925
ending page 15934
digital object identifier (doi) 10.1021/jp1093788
web of science category Chemistry, Physical
subject category Chemistry
unique article identifier WOS:000284738800024
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journal impact factor 3.146
5 year journal impact factor 3.101
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