Determination of Activity Coefficients at Infinite Dilution of Organic Solutes in the Ionic Liquid 1-(2-Hydroxyethyl)-3-methylimidazolium Nonafluoro-1-butanesulfonate Using Gas–Liquid Chromatography

Zhang, Cheng

doi:10.1021/acs.jced.8b00080

Cited by 8 publications

(4 citation statements)

References 43 publications

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“…Both columns gave similar limiting activity coefficient values and the average relative deviation between data from the two columns was ±2.13%. This indicates the absence of interfacial adsorption in both columns used in this study . Hence, the reported results are not only accurate but also reproducible.…”

Section: Results and Discussionsupporting

confidence: 64%

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Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent

2018

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The present work focuses on the application of a deep eutectic solvent (DES) to the separation of liquid mixtures. Experimental activity coefficients at infinite dilution γ13 ∞ of 23 organic solutes in tetrapropylammonium bromide +1,6-hexanediol DES were measured by gas–liquid chromatography (GLC) at four temperatures ranging from (313.15 to 343.15) K and atmospheric pressure. The hydrogen bond acceptor-to-hydrogen bond donour molar ratio was 1:2. The effect of molecular structure on the values of γ13 ∞ was also examined. From experimental limiting activity coefficients, values of partial molar excess enthalpy at infinite dilution (ΔH i E,∞) were obtained using the Gibbs–Helmholtz equation over the same temperature range. Furthermore, infinite dilution selectivity (S ij,s ∞) and capacity (k j,s ∞) for various practical separation problems were calculated from experimental γ13 ∞ and were compared with those of previously investigated ionic liquids and popular industrial solvents. It was observed that the investigated deep eutectic solvent would be an effective separation agent for mixtures of alkanes and thiophene or pyridine, as well as those involving alcohols and cycloalkanes or aromatics or ketones.

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Section: Results and Discussionsupporting

confidence: 64%

“…This indicates the absence of interfacial adsorption in both columns used in this study. 51 Hence, the reported results are not only accurate but also reproducible.…”

Section: Resultsmentioning

confidence: 71%

Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent

2018

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“…In order to evaluate the accuracy of COSMO‐RS prediction in selectivity of acetonitrile to ethanol at infinite dilution in various ILs, the root mean square error (RMSE) (Eqn 6) was employed in this work to compare the calculation value predicted by COSMO‐RS and the experimental value in the literature

RMSE = \sqrt{\frac{\sum_{i = 1}^{n} {((), S_{12, italicexp} - S_{12, italiccal})}^{2}}{n}}

where n is the total number of data employed, S exp and S cal are the selectivity at infinite dilution obtained by experiment and COSMO‐RS, respectively.…”

Section: Ionic Liquid Screenmentioning

confidence: 99%

“…47 In order to evaluate the accuracy of COSMO-RS prediction in selectivity of acetonitrile to ethanol at infinite dilution in various ILs, the root mean square error (RMSE) (Eqn 6) was employed in this work to compare the calculation value predicted by COSMO-RS and the experimental value in the literature. [48][49][50][51][52][53]…”

Section: Computational Detailsmentioning

confidence: 99%

COSMO‐RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture

Zhang

et al. 2020

J of Chemical Tech & Biotech

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BACKGROUND The selection of competent entrainer is very important for separating azeotrope systems by extractive distillation. Ionic liquids (ILs) are outstanding entrainers due to their excellent properties. However, it is time‐consuming to choose suitable ILs from the huge database of anions and cations. Herein, the selectivity and viscosity of ILs were combined as double standards to select suitable ILs for the separation of acetonitrile and ethanol mixture. RESULTS The selectivity and viscosity of 450 ILs (25 cations and 18 anions) were predicted based on Conductor‐like Screening Model for Real Solvents (COSMO‐RS). 1‐Butyl‐3‐methylimidazolium acetate [BMIM][Ac] was selected as a potential entrainer due to its higher selectivity and lower viscosity and [BMIM][Cl] was chosen as a comparison item as ILs with [Cl]− anion have separation performance next to [Ac]−‐based ILs. The vapor–liquid equilibrium (VLE) data of the acetonitrile + ethanol + ILs systems were determined at 101.3 kPa and correlated with the non‐random two‐liquid (NRTL) model. The result showed that the addition of the two ILs produced a salting‐out effect on acetonitrile and enhanced the relative volatility of acetonitrile to ethanol. Furthermore, [BMIM][Ac] exhibited better separation performance than [BMIM][Cl] and our previous reported ILs, which are consistent with the predicted results. The reduced density gradient (RDG) method indicated that hydrogen bonding dominated the interactions between ethanol and IL. CONCLUSION [BMIM][Ac] is a superior entrainer for the separation of acetonitrile–ethanol azeotrope. Compared to the previously studied ILs, there is a stronger hydrogen bond between ethanol and [BMIM][Ac]. This makes ethanol ‘bundled’ and acetonitrile more volatile, resulting in the superior separation performance of [BMIM][Ac]. © 2019 Society of Chemical Industry

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Thermodynamic Properties, Activity Coefficients at Infinite Dilution and Cosmo‐SAC Modelling of Deep Eutectic Solvents at Different Temperatures

et al. 2023

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A deep understanding of the solute‐ deep eutectic solvent (DESs) interactions is required for an appropriate selection of DESs as absorption media in the extraction of binary mixtures. As a result, these studies are done to evaluate the values of the activity coefficients at infinite dilution ( ), allowing us to define and understand the nature of these intermolecular interactions comprising DES mixtures with volatile organic solvents at different temperatures using gas liquid chromatography technique to determine the for 34 solutes in DESs [zinc chloride+acetic or phosphoric acid] prepared at 1 : 2 molar ratio for the temperature range (313.15–353.15) K. The thermal stability of the prepared DESs was determined by a thermogravimetric analyser. Excess thermodynamic parameters [partial molar excess enthalpies and Gibbs free energies ] were derived from the data. The selectivity and capacity values for the industrial separations were calculated and compared with the literature values of other DESs, ionic liquids, and sulfolane to assess the suitability of the investigated DESs for possible applications as extracting solvents. The selectivity and capacity values are high and therefore, [zinc chloride+acetic or phosphoric acid] can be used as a potential solvent to replace the currently used conventional solvents in the separation of the selected azeotropes. COSMO‐SAC predictions were qualitatively in very good agreement with the experimental data.

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Determination of Activity Coefficients at Infinite Dilution of Organic Solutes in the Ionic Liquid 1-(2-Hydroxyethyl)-3-methylimidazolium Nonafluoro-1-butanesulfonate Using Gas–Liquid Chromatography

Cited by 8 publications

References 43 publications

Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent

Activity Coefficients at Infinite Dilution of Various Solutes in Tetrapropylammonium Bromide + 1,6-Hexanediol Deep Eutectic Solvent

COSMO‐RS based ionic liquid screening for the separation of acetonitrile and ethanol azeotropic mixture

Thermodynamic Properties, Activity Coefficients at Infinite Dilution and Cosmo‐SAC Modelling of Deep Eutectic Solvents at Different Temperatures

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