To recover diisopropyl ether (DIPE) and isopropyl alcohol (IPA) from industrial wastewater through extractive distillation (ED), the most suitable extrainer 1-ethyl-3-methylimidazolium acetate ([EMIM][OAc]) was screened out by comparing the selectivity of DIPE to IPA and IPA to water in ionic liquids (ILs) composed of 9 common cations and 12 common anions. Theoretical insight at the molecular level based on surface charge-density (σ-profiles) and excess enthalpy (H^E) was provided to analyze the hydrogen bonding and separation mechanism between IL and the azeotrope. Isobaric vapor-liquid equilibrium (VLE) experiment of DIPE + IPA + [EMIM][OAc] and IPA + water + [EMIM][OAc] further validated the predicted results. After inputting the binary interaction parameters, the ternary ED configuration with [EMIM][OAc] as entrainer was simulated, and the thermal integration scheme was further explored. Comprehensive evaluation demonstrated that when compared to ethylene glycol (EG), the energy-integrated ED scheme with [EMIM][OAc] as entrainer saves energy consumption and the total annual cost (TAC) of 27.71% and 12.29%, respectively. This separation method provides a more energy-efficient and environmentally friendly choice for clean production of IPA.

为了通过萃取蒸馏（ED）从工业废水中回收二异丙醚（DIPE）和异丙醇（IPA），通过比较选择性筛选出了最合适的外线乙酸1-乙基-3-甲基咪唑鎓乙酸盐（[EMIM] [OAc]）由9种常见阳离子和12种常见阴离子组成的离子液体（IL）中的DIPE转化为IPA，并将IPA转化为水。基于表面电荷密度（σ-分布）和过量焓（H ^E提供了用于分析IL和共沸物之间氢键和分离机理的）。DIPE + IPA + [EMIM] [OAc]和IPA +水+ [EMIM] [OAc]的等压蒸气-液体平衡（VLE）实验进一步验证了预测结果。输入二元相互作用参数后，模拟了以[EMIM] [OAc]为夹带剂的三元ED构型，并进一步探索了热积分方案。综合评估表明，与乙二醇（EG）相比，以[EMIM] [OAc]为夹带剂的能量集成ED方案分别节省了能耗和27.71％的总年度成本（TAC）。这种分离方法为IPA的清洁生产提供了更加节能和环保的选择。