Liquid-liquid separation of azeotropic mixtures of ethanol/alkanes using deep eutectic solvents: COSMO-RS prediction and experimental validation

Hadj-Kali, M.K. and Hizaddin, H.F. and Wazeer, I. and El blidi, L. and Mulyono, S. and Hashim, M.A. (2017) Liquid-liquid separation of azeotropic mixtures of ethanol/alkanes using deep eutectic solvents: COSMO-RS prediction and experimental validation. Fluid Phase Equilibria, 448. pp. 105-115. ISSN 0378-3812

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Official URL: http://dx.doi.org/10.1016/j.fluid.2017.05.021

Abstract

Separation of azeotropic mixtures is a topic of great industrial interest. In this work, liquid-liquid extraction using deep eutectic solvents (DESs) is explored to separate binary azeotropic mixtures of ethanol and n-hexane, n-heptane or n-octane. Ten DESs were screened using the COSMO-RS approach by predicting the activity coefficient at infinite dilution, γ∞ of ethanol and n-alkanes in each DES. Then, three DESs were selected for experimental validation where Tetrabutylammonium bromide/Levulinic acid (TBAB/LA) with a molar ratio (1:2) gave the best extractive performance for all systems. Ternary liquid-liquid extraction experiments were conducted at room temperature with this DES. It was found that the tie-lines of all systems have positive slopes, indicating that a small amount of solvent is required to extract ethanol. Moreover, the distribution ratio and selectivity values are all greater than unity and the DES was not detected in the raffinate phase which indicate minimal cross-contamination between extract and raffinate phases. Finally, COSMO-RS predictions of the ternary tie-lines were in excellent agreement with experimental data, with an average RMSD value of 1.65%. The experimental data were also successfully correlated with NRTL model with an average RMSD value of 1.50%.

Item Type: Article
Uncontrolled Keywords: Deep eutectic solvents; Azeotropic systems; Liquid-liquid extraction; COSMO-RS
Subjects: T Technology > TP Chemical technology
Divisions: Faculty of Engineering > School of Chemistry
Depositing User: Ms. Juhaida Abd Rahim
Date Deposited: 03 Aug 2017 07:31
Last Modified: 03 Aug 2017 07:31
URI: http://eprints.um.edu.my/id/eprint/17593

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