【摘要】 采用反应精馏耦合萃取精馏工艺，即反应精馏工艺中引入环氧丙烷反应剂，在消耗部分甲醇的同时，联产高附加值的丙二醇甲醚；萃取精馏工艺中选用离子液体为萃取剂，在实现甲醇-碳酸二甲酯共沸物高效分离的同时进一步降低成本。使用COSMO-RS模型从25种阳离子与25种阴离子的组合中筛选出最优离子液体[HMIM][PF₆]，并对体系汽液平衡进行预测，从而设计出合理的分离工艺，使用Aspen Plus V11.0软件模拟并优化工艺流程。通过量子化学计算，利用独立梯度模型及分子表面电荷屏蔽密度分布曲线解释分离机理。模拟结果表明，年总费用相较于常规萃取精馏工艺降低约13.67%。同时，联产丙二醇甲醚带来的额外经济效益为13.4×10⁶$/a。更多还原

【Abstract】 The reactive distillation coupled extractive distillation process,which introduces epoxy propane reactant in the reaction distillation process,was used to co-produce high value-added propylene glycol methyl ether while consuming some methanol. In the extractive distillation process,ionic liquids were selected as extractants to realize efficient separation of methanol-dimethyl carbonate azeotrope and further reduce costs. The optimal ionic liquid [HMIM][PF₆] was selected from the combination of 25 cations and 25 anions using COSM-RS model,and the vapor-liquid equilibrium of the system was predicted,so as to design a reasonable separation process. Aspen Plus V11.0 software was used to simulate and optimize the process flow. Through quantum chemical calculations,the separation mechanism was explained by the independent gradient model and the molecular surface charge shielding density distribution curve. The simulation results show that the total annual cost is reduced by 13.67% compared with the conventional extractive distillation process. At the same time,the additional economic benefit of co-production of propylene glycol methyl ether is 13.4×10⁶ $/a.更多还原