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Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling

Authorized Users Only
2023
Authors
Simić, Zoran V.
Radović, Ivona R.
Stijepović, Mirko Z.
Kijevčanin, Mirjana Lj.
Article (Published version)
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Abstract
The aim of this study was to examine the possibility of using a green organic solvent, dimethyl adipate (DMA), as a separation agent in the extraction of different alcohols from aqueous solutions. For that purpose, the liquid–liquid equilibria (LLE) of four ternary systems were analytically determined at 298.15 K and atmospheric pressure using stirred and thermo-regulated cells: {water + methanol + dimethyl adipate (DMA)}, {water + ethanol + DMA}, {water + 1-propanol + DMA}, {water + 2-propanol + DMA}. Phase diagrams for these four ternary systems were obtained by determining a binodal curve and tie-lines data using a visual cloud-point method, but also gas chromatography. Distribution coefficients and separation factors were calculated for the immiscibility region. Hand and Othmer-Tobias correlations were used to examine the reliability of the tie-line data. In addition, the experimental ternary LLE data were correlated with the UNIversal QUAsiChemical (UNIQUAC) activity coefficient m...odels. The obtained results showed that DMA is a suitable candidate for the extraction of methanol, ethanol, 1-propanol, and 2-propanol from water. With some alcohols, this potential is more noticeable than with others. The potential of DMA as a separation agent is increasing in the following sequence: methanol < ethanol < 2-propanol < 1-propanol, and that also could be noticed from the selectivity values that also increase in this sequence. The UNIQUAC model proved as successful in correlating the LLE data.

Keywords:
Dimethyl adipate / Green chemistry / Liquid–liquid equilibria / Ternary systems
Source:
Journal of Molecular Liquids, 2023, 377, 121542-
Publisher:
  • Elsevier B.V.
Funding / projects:
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200135 (University of Belgrade, Faculty of Technology and Metallurgy) (RS-200135)
  • Ministry of Education, Science and Technological Development, Republic of Serbia, Grant no. 200287 (Innovation Center of the Faculty of Technology and Metallurgy) (RS-200287)

DOI: 10.1016/j.molliq.2023.121542

ISSN: 0167-7322

Scopus: 2-s2.0-85149182421
[ Google Scholar ]
URI
http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6030
Collections
  • Radovi istraživača (Inovacioni centar) / Researchers’ publications (Innovation Centre)
  • Radovi istraživača / Researchers’ publications (TMF)
Institution/Community
Inovacioni centar
TY  - JOUR
AU  - Simić, Zoran V.
AU  - Radović, Ivona R.
AU  - Stijepović, Mirko Z.
AU  - Kijevčanin, Mirjana Lj.
PY  - 2023
UR  - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6030
AB  - The aim of this study was to examine the possibility of using a green organic solvent, dimethyl adipate (DMA), as a separation agent in the extraction of different alcohols from aqueous solutions. For that purpose, the liquid–liquid equilibria (LLE) of four ternary systems were analytically determined at 298.15 K and atmospheric pressure using stirred and thermo-regulated cells: {water + methanol + dimethyl adipate (DMA)}, {water + ethanol + DMA}, {water + 1-propanol + DMA}, {water + 2-propanol + DMA}. Phase diagrams for these four ternary systems were obtained by determining a binodal curve and tie-lines data using a visual cloud-point method, but also gas chromatography. Distribution coefficients and separation factors were calculated for the immiscibility region. Hand and Othmer-Tobias correlations were used to examine the reliability of the tie-line data. In addition, the experimental ternary LLE data were correlated with the UNIversal QUAsiChemical (UNIQUAC) activity coefficient models. The obtained results showed that DMA is a suitable candidate for the extraction of methanol, ethanol, 1-propanol, and 2-propanol from water. With some alcohols, this potential is more noticeable than with others. The potential of DMA as a separation agent is increasing in the following sequence: methanol < ethanol < 2-propanol < 1-propanol, and that also could be noticed from the selectivity values that also increase in this sequence. The UNIQUAC model proved as successful in correlating the LLE data.
PB  - Elsevier B.V.
T2  - Journal of Molecular Liquids
T1  - Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling
SP  - 121542
VL  - 377
DO  - 10.1016/j.molliq.2023.121542
ER  - 
@article{
author = "Simić, Zoran V. and Radović, Ivona R. and Stijepović, Mirko Z. and Kijevčanin, Mirjana Lj.",
year = "2023",
abstract = "The aim of this study was to examine the possibility of using a green organic solvent, dimethyl adipate (DMA), as a separation agent in the extraction of different alcohols from aqueous solutions. For that purpose, the liquid–liquid equilibria (LLE) of four ternary systems were analytically determined at 298.15 K and atmospheric pressure using stirred and thermo-regulated cells: {water + methanol + dimethyl adipate (DMA)}, {water + ethanol + DMA}, {water + 1-propanol + DMA}, {water + 2-propanol + DMA}. Phase diagrams for these four ternary systems were obtained by determining a binodal curve and tie-lines data using a visual cloud-point method, but also gas chromatography. Distribution coefficients and separation factors were calculated for the immiscibility region. Hand and Othmer-Tobias correlations were used to examine the reliability of the tie-line data. In addition, the experimental ternary LLE data were correlated with the UNIversal QUAsiChemical (UNIQUAC) activity coefficient models. The obtained results showed that DMA is a suitable candidate for the extraction of methanol, ethanol, 1-propanol, and 2-propanol from water. With some alcohols, this potential is more noticeable than with others. The potential of DMA as a separation agent is increasing in the following sequence: methanol < ethanol < 2-propanol < 1-propanol, and that also could be noticed from the selectivity values that also increase in this sequence. The UNIQUAC model proved as successful in correlating the LLE data.",
publisher = "Elsevier B.V.",
journal = "Journal of Molecular Liquids",
title = "Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling",
pages = "121542",
volume = "377",
doi = "10.1016/j.molliq.2023.121542"
}
Simić, Z. V., Radović, I. R., Stijepović, M. Z.,& Kijevčanin, M. Lj.. (2023). Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling. in Journal of Molecular Liquids
Elsevier B.V.., 377, 121542.
https://doi.org/10.1016/j.molliq.2023.121542
Simić ZV, Radović IR, Stijepović MZ, Kijevčanin ML. Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling. in Journal of Molecular Liquids. 2023;377:121542.
doi:10.1016/j.molliq.2023.121542 .
Simić, Zoran V., Radović, Ivona R., Stijepović, Mirko Z., Kijevčanin, Mirjana Lj., "Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling" in Journal of Molecular Liquids, 377 (2023):121542,
https://doi.org/10.1016/j.molliq.2023.121542 . .

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