Liquid-liquid equilibria of the ternary systems water + C1 – C3 alcohols + dimethyl adipate at 298.15 K and atmospheric pressure: Experimental data and modeling
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 systemsSource:
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)
Collections
Institution/Community
Inovacioni centarTY - 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 . .