Liquid + liquid equilibrium and thermodynamic modeling of water + cyclohexanone + ethyl acetate at different temperatures
•The LLE data for water + cyclohexanone + ethyl acetate was measured at 298.2, 303.2 and 313.2 K under 101.3 kPa.•The distribution coefficient and selectivity factor were calculated to evaluate the extraction effect of ethyl acetate.•The NRTL and UNIQUAC models were applied to correlate the experime...
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Veröffentlicht in: | The Journal of chemical thermodynamics 2021-12, Vol.163, p.106617, Article 106617 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | •The LLE data for water + cyclohexanone + ethyl acetate was measured at 298.2, 303.2 and 313.2 K under 101.3 kPa.•The distribution coefficient and selectivity factor were calculated to evaluate the extraction effect of ethyl acetate.•The NRTL and UNIQUAC models were applied to correlate the experimental LLE data.•The binary interaction parameter values were obtained from the data correlation.•The GUI-MATLAB tool was used to check the consistency of the binary parameters of the NRTL and UNIQUAC models.
In order to separate and purify cyclohexanone from water, in 101.3 kPa, the liquid-liquid equilibrium (LLE) data of water (1) + cyclohexanone (2) + ethyl acetate (3) at 298.2, 303.2, and 313.2 K were measured. The extraction ability of ethyl acetate was evaluated by distribution coefficient (D) and selectivity factor (S). It was found that the extraction effect was higher at 313.2 K, and the selectivity was better at 298.2 K. At the same time, through comparison with the literature, it is found that mesityl oxide can selectively extract cyclohexanone from water better than ethyl acetate. The NRTL and UNIQUAC models were successfully associated with the LLE data with the root mean square deviation (RMSD) was not greater than 0.27%. Finally, it was verified that the regression parameters of the thermodynamic model have good consistency by GUI-MATLAB tools. |
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ISSN: | 0021-9614 1096-3626 |
DOI: | 10.1016/j.jct.2021.106617 |