共沸物
萃取蒸馏
离子液体
四氢呋喃
化学
蒸馏
共沸蒸馏
三元运算
醋酸甲酯
有机化学
热力学
工艺工程
催化作用
计算机科学
溶剂
程序设计语言
工程类
物理
作者
Wenxiu Li,L ZHANG,Hongfan Guo,Qi Ni,Huisheng Feng,Lida Wang,Tao Zhang
摘要
Abstract BACKGROUND The tetrahydrofuran–ethanol azeotrope cannot be separated by common distillation, but can be effectively separated by extractive distillation. Extractive distillation can be simulated by Aspen Plus software. The minimum annual cost of the process can be calculated to assess ionic liquid separation ability. The interaction energy can be used to explain the separation mechanism. RESULTS The non‐random two‐liquid model parameters of ternary mixtures for tetrahydrofuran and ethanol containing tributylmethylammonium acetate or 1‐octyl‐3‐methylimidazolium acetate were obtained. Thermodynamic property databases of tributylmethylammonium acetate, 1‐hexyl‐2,3‐dimethylimidazolium acetate and 1‐octyl‐3‐methylimidazolium acetate were established. Based on the thermodynamic model parameters and properties, the sequential iterative method was used to determine the best operating conditions and minimum total annual cost the of extractive distillation process. The interaction energy was calculated to explain the separation mechanism. CONCLUSIONS The separation performance of tributylmethylammonium acetate is better than that of 1‐hexyl‐2,3‐dimethylimidazolium acetate or 1‐octyl‐3‐methylimidazolium acetate. The selection and design of the ionic liquids can be conducted in terms of the interaction energy. © 2023 Society of Chemical Industry (SCI).
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