Interactions between molecular solutes and task-specific ionic liquid: measurements of infinite dilution activity coefficients and modeling

Kamil Paduszyński , Marta Królikowska

Abstract

Infinite dilution activity coefficients of 35 molecular compounds in novel ionic liquid (IL) 1-(2-hydroxyethyl)-1-methylpyrrolidinium dimethylphosphate are presented in a wide range of temperature. Basic thermal characteristics and liquid density of the IL at ambient pressure are also reported. The measured activity coefficients are discussed in terms of molecular interactions between the solutes and the IL's cation and anion. An impact of strongly basic anion and the cation functionalization is elucidated. Application of the studied IL in aromatic-aliphatic separations and extractive desulfurization is evaluated on the basis infinite dilution selectivity and capacity. The experimental data are treated in terms of three distinct approaches: linear solvation-energy relationship (LSER), regular solution theory and conductor-like screening model for real solvents (COSMO-RS). In particular: temperature-dependent LSER correlation able to accurately reproduce gas-liquid partition coefficients derived from activity coefficients is presented, the solubility parameters of pure IL are derived on the basis of treatment of measured data with the Scatchard-Hildebrand equation and the predictive capacity of the COSMO-RS approach in calculating limiting activity coefficients for the considered systems is tested.
Author Kamil Paduszyński ZChF
Kamil Paduszyński,,
- Department Of Physical Chemistry
, Marta Królikowska ZChF
Marta Królikowska,,
- Department Of Physical Chemistry
Journal seriesJournal of Molecular Liquids, ISSN 0167-7322
Issue year2016
Vol221
Pages235-244
Publication size in sheets0.5
Keywords in EnglishIonic liquid; Activity coefficient; LSER; Solubility parameter; COSMO-RS
DOIDOI:10.1016/j.molliq.2016.05.063
URL http://www.sciencedirect.com/science/article/pii/S0167732216308546
Languageen angielski
File
1-s2.0-S0167732216308546-main_1.pdf 1.13 MB
Score (nominal)30
ScoreMinisterial score = 30.0, 28-11-2017, ArticleFromJournal
Ministerial score (2013-2016) = 30.0, 28-11-2017, ArticleFromJournal
Publication indicators WoS Impact Factor: 2016 = 3.648 (2) - 2016=3.187 (5)
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