Experimental study and thermodynamic modeling of phase equilibria of systems containing cyclohexane, alcohols (C4 and C5), and deep eutectic solvents
•LLE data of (cyclohexane + alcohols + deep eutectic solvents) were measured.•Three choline chloride-based deep eutectic solvents were prepared.•Experimental LLE data were correlated with NRTL model.•The interaction parameters were optimized by the Particle Swarm Optimization algorithm.•Distribution...
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Published in | Journal of molecular liquids Vol. 340; p. 117196 |
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Main Authors | , , , |
Format | Journal Article |
Language | English |
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Elsevier B.V
15.10.2021
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Abstract | •LLE data of (cyclohexane + alcohols + deep eutectic solvents) were measured.•Three choline chloride-based deep eutectic solvents were prepared.•Experimental LLE data were correlated with NRTL model.•The interaction parameters were optimized by the Particle Swarm Optimization algorithm.•Distribution coefficients and selectivity were evaluated.
Liquid-liquid equilibrium (LLE) data were measured and comparatively analyzed for six ternary mixtures of (cyclohexane + alcohols + deep eutectic solvents) at T = 298.2 K and p = 101 kPa. In this work, three choline chloride-based deep eutectic solvents (ChCl-DESs) were prepared for the extraction of the two structurally similar primary alcohols (1-butanol and 3-methyl-1-butanol) from a hydrocarbon (cyclohexane). The chosen DESs were DES1 (ChCl-propylene glycol with molar ratio = 1:3), DES2 (ChCl-ethylene glycol with molar ratio = 1:2), and DES3 (ChCl-glycerol with molar ratio = 1:2). The quality of the tie-line compositions was checked using the Othmer-Tobias correlation equation. The NRTL model was successfully applied to fit the experimental equilibrium data. The model binary interaction parameters were optimized by the Particle Swarm Optimization (PSO) algorithm. The model validation confirms that all the calculated parameters are consistent with the experimental data. Evaluation of the capacities of the deep eutectic solvent was carried out via the calculation of solute distribution coefficients and selectivity from the LLE data. The influence of the chemical structure of the alcohol on the phase equilibria was investigated. The extraction ability of the studied deep eutectic solvents displays promising results. The highest solute distribution coefficients were determined for (cyclohexane + 1-butanol + DES1). |
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AbstractList | •LLE data of (cyclohexane + alcohols + deep eutectic solvents) were measured.•Three choline chloride-based deep eutectic solvents were prepared.•Experimental LLE data were correlated with NRTL model.•The interaction parameters were optimized by the Particle Swarm Optimization algorithm.•Distribution coefficients and selectivity were evaluated.
Liquid-liquid equilibrium (LLE) data were measured and comparatively analyzed for six ternary mixtures of (cyclohexane + alcohols + deep eutectic solvents) at T = 298.2 K and p = 101 kPa. In this work, three choline chloride-based deep eutectic solvents (ChCl-DESs) were prepared for the extraction of the two structurally similar primary alcohols (1-butanol and 3-methyl-1-butanol) from a hydrocarbon (cyclohexane). The chosen DESs were DES1 (ChCl-propylene glycol with molar ratio = 1:3), DES2 (ChCl-ethylene glycol with molar ratio = 1:2), and DES3 (ChCl-glycerol with molar ratio = 1:2). The quality of the tie-line compositions was checked using the Othmer-Tobias correlation equation. The NRTL model was successfully applied to fit the experimental equilibrium data. The model binary interaction parameters were optimized by the Particle Swarm Optimization (PSO) algorithm. The model validation confirms that all the calculated parameters are consistent with the experimental data. Evaluation of the capacities of the deep eutectic solvent was carried out via the calculation of solute distribution coefficients and selectivity from the LLE data. The influence of the chemical structure of the alcohol on the phase equilibria was investigated. The extraction ability of the studied deep eutectic solvents displays promising results. The highest solute distribution coefficients were determined for (cyclohexane + 1-butanol + DES1). |
ArticleNumber | 117196 |
Author | Jahanbin sardroodi, J. Rahmdel, Sh Ghanadzadeh Gilani, A. Verpoort, F. |
Author_xml | – sequence: 1 givenname: A. surname: Ghanadzadeh Gilani fullname: Ghanadzadeh Gilani, A. email: aggilani@guilan.ac.ir organization: Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran – sequence: 2 givenname: J. surname: Jahanbin sardroodi fullname: Jahanbin sardroodi, J. organization: Department of Chemistry, Faculty of Science, Azarbaijan Shahid Madani University, Tabriz, Iran – sequence: 3 givenname: F. surname: Verpoort fullname: Verpoort, F. organization: Ghent University, Global Campus Songdo, 119 Songdomunhwa-Ro, Yeonsu-Gu, Incheon, Republic of Korea – sequence: 4 givenname: Sh surname: Rahmdel fullname: Rahmdel, Sh organization: Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran |
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Keywords | Liquid-liquid equilibrium Choline chloride Deep eutectic solvent Thermodynamic model |
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Snippet | •LLE data of (cyclohexane + alcohols + deep eutectic solvents) were measured.•Three choline chloride-based deep eutectic solvents were prepared.•Experimental... |
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StartPage | 117196 |
SubjectTerms | Choline chloride Deep eutectic solvent Liquid-liquid equilibrium Thermodynamic model |
Title | Experimental study and thermodynamic modeling of phase equilibria of systems containing cyclohexane, alcohols (C4 and C5), and deep eutectic solvents |
URI | https://dx.doi.org/10.1016/j.molliq.2021.117196 |
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