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Liquid–Liquid Equilibrium Measurement and Thermodynamic Modeling for Ternary Systems of 1,3-Propanediol + 2-Propyl-1-heptanol + Extractants at 298.2 K

Jiajun Wei,Lingxiao Yi,Wang Yuxin,Erkang Li,Zhen Yujie,Fangyu Zhang,Xinlei Niu,Jinshan Wang,Deming Zhao,Yingmin Yu

Liquid–liquid equilibrium (LLE) measurements were conducted at a temperature of 298.2 K and a pressure of 101.3 kPa for the ternary system consisting of 1,3-propanediol, 2-propyl-1-heptanol, and various extractants (n-hexane, vinyl acetate, ethyl benzene, and water). By calculating the distribution constant (D) and selectivity (S) in each system, the ability of four extractants to separate the mixture of 1,3-propanediol and 2-propyl-1-heptanol was compared. Furthermore, the LLE data underwent regression using thermodynamic models NRTL and UNIQUAC. The degree of deviation between the experimental data and regression data was assessed using the root mean square deviation (RMSD) and the average absolute deviation (AAD). The RMSD values for the NRTL and UNIQUAC models were below 0.74 and 0.76%, respectively, with corresponding AAD values below 0.39 and 0.60%. These results indicate a robust concurrence between the experimental data and the outcomes of the regression analysis. Finally, the GUI-MATLAB tool was employed to validate the coherence of the experimental data with the regression parameters. σ-Profiles are used to discuss the interactions of substances in this work. The results showed that the D and S of all four systems were greater than 1, indicating that all four extractants were effective in separating 1,3-propanediol and 2-propyl-1-heptanol. The order of their extraction capacity was water ≥ hexane ≥ ethyl benzene ≥ vinyl acetate.