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.
Yuanyuan Han,Mai Han,Houchun Yan,Qingqing Yin,Qingsong Li
Liquid–liquid equilibrium (LLE) data for the ternary mixture of water + furfuryl alcohol (FAL) + {1-pentanol and n-propyl acetate} was measured in 101.3 kPa at 303.2, 313.2, and 323.2 K. The separation factor (S) and distribution coefficient (D) appraised the utility of extracting FAL from water. The experimental data were accurately correlated by the nonrandom two-liquid (NRTL) and the universal quasi-chemical (UNIQUAC) models with the root-mean-square deviation (RMSD%) values. The values are less than 0.37%. The relevant binary interaction parameters were calculated. The GUI-MATLAB was used to check the consistency of the calculated binary interaction parameters and liquid–liquid equilibrium data. The σ-profiles can analyze the molecular interaction, which further confirms the accuracy of the experimental results. The excellent performance of 1-pentanol and n-propyl acetate in the extraction of FAL from an aqueous solution was shown.
To recover 2-ethyl-1-hexanol and 1,2-propanediol from waste polyester alcoholysis products, liquid–liquid equilibrium (LLE) data for the ternary system of 2-ethyl-1-hexanol + 1,2-propanediol + (water, n-heptane) at different temperatures (303.2, 313.2, and 323.2 K) were studied at 101.3 kPa. The distribution coefficient (D) and selectivity coefficient (S) were used as indicators to assess the separation effect. The NRTL and UNIQUAC models were used to correlate the experimental data and the root mean square deviation (RMSD) values were calculated to be less than 0.75 and 0.97%, respectively. Finally, the consistency between the experimental data and the regression parameters was verified using the GUI-MATLAB tool. σ-Profiles are used to discuss the interactions of substances in this work. It was found that both extractants could separate and extract 2-ethyl-1-hexanol and 1,2-propanediol effectively, with water being more effective.
Mai Han,Song Lin,Mingyi Xu,Yueyang Jiang,Qingqing Yin,Yufan Pang,Yujian Song,Qingsong Li
In order to extract and refine tetrahydrofurfuryl alcohol (THFA) from water, this work obtained the liquid–liquid equilibrium (LLE) data of THFA in the aqueous solution using 4-Methyl-2-pentanone (MIBK) and 4-Methyl-2-pentanol (MIBC) at 303.2 K, 313.2 K, and 323.2 K under 101.3 kPa. The distribution coefficient ( D ) and selectivity coefficient ( S ) were used to evaluate the effect of extracting THFA from an aqueous solution, and it is found that both two solvents are excellent for the extraction of THFA. The Othmer-Tobias and Hand equations were used to verify the reliability of the LLE data with the linear coefficient was greater than 0.99%. The NRTL and UNIQUAC models successfully correlated the experimental data with the RMSD% values less than 0.57% and 0.56%, respectively. The GUI-MATLAB tool was used to verify the excellent reliability of the regression parameters.
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