Yuanyuan Han,Houchun Yan,Mai Han,Wei Wang,Jia Han,Tao Xing,Bing Li,Qingsong Li
The basic liquid–liquid equilibrium data of two systems {water + 2-propanol (IPA) + 1-octanol/n-propyl acetate} were measured. The distribution coefficients of the 2-propanol and the separation factors of the systems were calculated to analyze the extraction ability of the two extractants that extract IPA from water. The correlation model Hand equation was used to fit the data. The value of the linear correlation coefficient R2 > 0.99 indicates that the linear fit of the experimental data is good. The theoretical models NRTL and UNIQUAC were used to correlate the measured data. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD). The RMSD < 0.01 means that the two models were suitable for the regression of the systems studied in this work. GUI-MATLAB has validated the binary interaction parameters. The basic data obtained from this work can support the separation of water and IPA.
Liquid-liquid equilibrium (LLE) data for the ternary system of (2-methyl-2-butanol + water + n -octanol) were determined at 303.15 K, 313.15 K, and 323.15 K under atmospheric pressure. The Hand equation, the Othmer-Tobias equation, and the mass balance between the feed and the conjugated phases were used to test the reliability of the experimental LLE data. The results show that the correlation coefficients ( R 2 ) of the equations are close to 1, and the relative error of mass balance is less than 0.5%. The selectivity ( S ) was used to evaluate the capacity of n -octanol to extract 2-methyl-2-butanol from the water, which is much greater than 1. Furthermore, S decreases with the mass fraction of 2-methyl-2-butanol in the aqueous phase and increases with equilibrium temperature. The NRTL and UNIQUAC models were applied to correlate the experimental LLE data, and the binary interaction parameters were obtained. The root-mean square deviations (RMSDs) for the two models obtained are less than 1.1%.
In this study, a comprehensive investigation was conducted to gather fundamental data for the solvent extraction and separation of n-octane and butyl acetate. Various extractants, including furfural, dimethyl sulfoxide, N,N-dimethylformamide, N-formylmorpholine, ethylene glycol, and N-methylpyrrolidone, were employed to examine the extraction and separation of their mixtures. Measurements were conducted at constant pressure and temperature of 101.3 kPa and 298.2 K, respectively. The distribution constant, separation factor, and performance index were calculated from the obtained liquid–liquid equilibrium data, offering a quantitative assessment of the effectiveness of the extractants in extracting and separating n-octane and butyl acetate. The consistency of the LLE data was validated by using the Hand and Othmer–Tobias equations. Furthermore, the experimental data were successfully correlated using the NRTL and UNIQUAC thermodynamic models. The root-mean-square deviation was used to assess the difference between the calculated results and the experimental data. In addition, the obtained binary interaction parameters were validated using GMcal_TieLinesLL software developed by Marcilla and his collaborators. Our results demonstrate the accuracy and reliability of the experimental data and correlative models, offering valuable insights that will facilitate the future development of solvent extraction separation processes involving n-octane and butyl acetate.
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