Mechanistic Analysis and Process Simulation of Ethyl Acetate-Ethanol Separation by Complex Solvent Extractive Distillation.

Developing high-performance solvents for extraction and optimizing process technologies is crucial for efficient extractive distillation (ED) separation of azeotrope mixtures. In this paper, computer-aided screening was used to study the ED of azeotrope mixtures in ethyl acetate and ethanol systems using organic solvent dimethyl sulfoxide (DMSO) and ionic liquid (IL) ([EMIM][Ac]). The structural relationship between the ILs and the azeotrope mixture was analyzed by σ-profile, molecular surface electrostatic potential, interaction energy, and separation gradient.