Activity coefficients at infinite dilution of organic solutes in the ionic liquid, methyl(trioctyl)ammonium thiosalicylate, [N1888][TS] by gas–liquid chromatography at T=(303.15, 313.15, and 323.15)K

Reddy, Pramod; Gwala, Nobuhle V.; Deenadayalu, Nirmala; Ramjugernath, Deresh

doi:10.1016/j.jct.2010.12.020

Cited by 15 publications

(6 citation statements)

References 34 publications

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“…and . Figure shows the predicted results of the selectivity and solvent capacity by the UNIFAC model and the experimental data collected from literature at infinite dilution for the separation of n ‐hexane (1) and 1‐hexene (2) with ILs. As a whole, the results predicted by the UNIFAC model and the experimental data agree well, and there is a clear compromise between selectivity and solvent capacity.…”

Section: Structure‐property Relationsmentioning

confidence: 99%

Extractive distillation with ionic liquids: A review

et al. 2014

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Extractive distillation is commonly used for the separation of azeotropic or close-boiling mixtures in the chemical industry. During the past decade, the use of ionic liquids (ILs) as entrainers has received considerable attention due to their unique advantages when applied in extractive distillation. This work is devoted to providing an easy-to-read and comprehensive review on the recent progress made by chemical engineers, focusing on the issues of predictive thermodynamic models, structure-property relations, separation mechanisms, and process simulation and optimization. This review spans from the molecular level to the industrial scale, to provide a theoretical insight into the molecular interactions between ILs and the components to be separated. Moreover, a comprehensive database on the vapor-liquid equilibria (VLE) and activity coefficients at infinite dilution concerning ILs is provided as Supporting Information. Concluding remarks are made on the unsolved scientific issues with respect to this promising special distillation technology.

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Section: Structure‐property Relationsmentioning

confidence: 99%

Extractive distillation with ionic liquids: A review

et al. 2014

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“…37,38 Moreover, the IL anion is also shown to play a key role on the IL-solvent interactions. In fact [PF 6 ]-based ILs present activity coefficients at infinite dilution two orders of magnitude higher than those of [NTf 2 ]-based ILs.…”

Section: Activity Coefficients At Infinite Dilutionmentioning

confidence: 99%

Understanding the impact of the central atom on the ionic liquid behavior: Phosphonium vs ammonium cations

Carvalho

Ventura²,

Batista³

et al. 2014

The Journal of Chemical Physics

137

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Density relaxation and particle motion characteristics in a non-ionic deep eutectic solvent (acetamide + urea): Time-resolved fluorescence measurements and all-atom molecular dynamics simulations J. Chem. Phys. 142, 034505 (2015) The influence of the cation's central atom in the behavior of pairs of ammonium-and phosphoniumbased ionic liquids was investigated through the measurement of densities, viscosities, melting temperatures, activity coefficients at infinite dilution, refractive indices, and toxicity against Vibrio fischeri. All the properties investigated are affected by the cation's central atom nature, with ammonium-based ionic liquids presenting higher densities, viscosities, melting temperatures, and enthalpies. Activity coefficients at infinite dilution show the ammonium-based ionic liquids to present slightly higher infinite dilution activity coefficients for non-polar solvents, becoming slightly lower for polar solvents, suggesting that the ammonium-based ionic liquids present somewhat higher polarities. In good agreement these compounds present lower toxicities than the phosphonium congeners. To explain this behavior quantum chemical gas phase DFT calculations were performed on isolated ion pairs at the BP-TZVP level of theory. Electronic density results were used to derive electrostatic potentials of the identified minimum conformers. Electrostatic potential-derived CHelpG and Natural Population Analysis charges show the P atom of the tetraalkylphosphonium-based ionic liquids cation to be more positively charged than the N atom in the tetraalkylammonium-based analogous IL cation, and a noticeable charge delocalization occurring in the tetraalkylammonium cation, when compared with the respective phosphonium congener. It is argued that this charge delocalization is responsible for the enhanced polarity observed on the ammonium based ionic liquids explaining the changes in the thermophysical properties observed. © 2014 AIP Publishing LLC.

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“…The group binary interaction parameters contained in lnγ i R , a nm and a mn , were obtained by means of correlating the activity coefficients of solutes at infinite dilution in ILs exhaustively collected from literature by the end of 2011 in the temperature range of 293–368 K. − The kinds of ILs, molecular solutes, number of data points, experimental method, and temperature range are provided in detail in the SI. The following objective function (OF) minimized was adopted: OF = min nobreak0em.25em⁡ prefix∑ i N false| γ i ∞ , exp − γ ...…”

Section: Extension Of the Unifac Group Parameter Matrixmentioning

confidence: 99%

Extension of the UNIFAC Model for Ionic Liquids

Lei

Dai

Liu

et al. 2012

Ind. Eng. Chem. Res.

137

153

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The UNIFAC model has recently become very popular for ionic liquids (ILs) because of its applicability for prediction of thermodynamic properties. This work is a continuation of our studies on the extension of group parameters of the UNIFAC model to systems with ILs. The new IL groups for 33 main groups and 53 subgroups were added into the current UNIFAC parameter matrix. The parameters of group surface area and volume for ILs were obtained by the COSMO calculation, while the group binary interaction parameters, a nm and a mn , were obtained by means of correlating the activity coefficients of solutes at infinite dilution in ILs at different temperatures exhaustively collected from literature by the end of 2011. The predicted results of UNIFAC model are more accurate than those of the COSMO-RS model so that it can be used for identifying the general relationship between molecular structure of ILs and separation performance for the separation of liquid mixtures with ILs.

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Activity coefficients at infinite dilution of organic solutes in the ionic liquid, methyl(trioctyl)ammonium thiosalicylate, [N1888][TS] by gas–liquid chromatography at T=(303.15, 313.15, and 323.15)K

Cited by 15 publications

References 34 publications

Extractive distillation with ionic liquids: A review

Extractive distillation with ionic liquids: A review

Understanding the impact of the central atom on the ionic liquid behavior: Phosphonium vs ammonium cations

Extension of the UNIFAC Model for Ionic Liquids

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