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oai:figshare.com:article/34020470 2026-09-29T02:07:28Z category_4 category_13 category_21 category_272 category_873 category_734 category_133 portal_63 item_type_6 month_year_09_2026

Entrainer Screening, Vapor–Liquid Equilibrium Measurement, and Extractive Distillation Simulation for the Ethyl Propionate–Ethanol Azeotropic System Ying Qiao (555575) Xiuyu Zhang (760602) Yun Zou (165943) Ruining He (10647709) Zhangfa Tong (2134969) Biochemistry Genetics Biotechnology Environmental Sciences not elsewhere classified Chemical Sciences not elsewhere classified Biological Sciences not elsewhere classified Plant Biology screened via cosmo reliable thermodynamic consistency il mole fraction economic analysis shows dilution solvent capacity challenging industrial problem 252 ionic liquids extractive distillation simulation based extractive distillation vacuum distillation rs theory relative volatility obtain high evaluating selectivity ethylene glycol ethyl propionate entrainer screening effectively improved completely eliminated 8 %. The separation of ethyl propionate (EtPr) from the EtPr-ethanol (EtOH) azeotropic system is a challenging industrial problem. Herein, 252 ionic liquids (ILs) were screened via COSMO-RS theory, and tributylmethylammonium acetate ([N₄₄₄₁][Ac]) was selected as the optimal extractive distillation entrainer by evaluating selectivity and infinite-dilution solvent capacity. Vapor–liquid equilibrium (VLE) data of the EtPr (1) + EtOH (2) + [N₄₄₄₁][Ac] (3) system were measured at 101.3 kPa. The added [N₄₄₄₁][Ac] effectively improved the relative volatility of EtPr and completely eliminated the azeotrope at an IL mole fraction of 8%. The NRTL model provided accurate data correlation with reliable thermodynamic consistency. An optimized extractive distillation process was established via Aspen Plus V11 to obtain high-purity EtPr and EtOH. Economic analysis shows that the proposed process reduces total annual cost (TAC) by 18.75% and 38.83% compared with ethylene glycol-based extractive distillation and vacuum distillation, respectively. 2026-09-28T00:00:00Z Text Journal contribution 10.1021/acs.iecr.6c01223.s001 https://figshare.com/articles/journal_contribution/Entrainer_Screening_Vapor_Liquid_Equilibrium_Measurement_and_Extractive_Distillation_Simulation_for_the_Ethyl_Propionate_Ethanol_Azeotropic_System/34020470 CC BY-NC 4.0