In this work, experimental isobaric vapor–liquid equilibrium data were measured for the ethyl acetate (EAC) + 2-ethylhexanoic acid (EA) and propyl acetate (PAC) + EA systems at atmospheric pressure. The experimental data were in good agreement with the NRTL-HOC, UNIQUAC-HOC, and Wilson-HOC models. The maximum absolute deviations and mean absolute deviations of temperature were less than 0.94 and 0.80, respectively. The maximum absolute deviations and mean absolute deviations of the mole fraction of the vapor phase were less than 0.0094 and 0.0067, respectively. The Van Ness method was used to check the thermodynamic consistency of the experimental data. In addition, the binary interaction parameters for the EAC + EA and PAC + EA systems were obtained.

Extractive distillation is often used to separate difficult separation systems so as to realize the recovery and utilization of resources in industry. Based on the separation of ethylene glycol (EG), isoamyl alcohol, and water, the separation of ternary azeotropic mixtures by extractive distillation was studied. The study of extraction mechanism is very important for solvent screening and molecular design. To compare the selectivity of solvents, the interaction energies between solvent–water, solvent–EG, and solvent–isoamyl alcohol were calculated by the quantum chemical method. Atoms in molecules, reduced density gradient, and electrostatic potential were used to study the microextraction mechanism of solvents in the water–EG–isoamyl alcohol system. In extractive distillation, vapor–liquid equilibrium (VLE) data is used as the basic data for designing and optimizing the process. In order to solve the problem of lack of VLE data between N,N-dimethylformamide, dimethyl sulfoxide, choline-based deep eutectic solvents, and azeotropes, the VLE experiment of the solvent and azeotrope system was carried out. In this work, the selectivity of different solvents was compared by the quantum chemical method, the microextraction mechanism of solvents was explored, and the lack of VLE experimental data was supplemented, which provided theoretical guidance for the selection and design of solvent molecules with excellent performance.

In this work, the effects of N-methyl pyrrolidone, N,N-dimethylformamide, cyclohexanol, butyl butyrate, and N-formylmorpholine on the separation efficiency of a p-xylene and 1-pentanol azeotropic system are investigated, and the best solvent is selected from these solvents. The vapor–liquid equilibrium data of binary systems of 1-pentanol + butyl butyrate, 1-pentanol + N-formylmorpholine, and p-xylene + butyl butyrate are measured using a modified Rose-type circulating still under 101.3 kPa. In order to check the thermodynamic consistency of the experimental vapor–liquid equilibrium data, the Herington and Van Ness methods are used. In addition, the nonrandom two-liquid, universal quasichemical, and Wilson models are used to correlate the experimental data of binary systems, and the interaction parameters of binary systems are obtained.

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