共沸物
非随机双液模型
化学
离子液体
异丙醇
碳酸二甲酯
异丙基
萃取(化学)
热力学
酒
工作(物理)
物理化学
活度系数
有机化学
催化作用
蒸馏
物理
水溶液
作者
Chao Sun,Yajuan Qu,Yasen Dai,Jiafu Xing,Yanli Zhang,Yinglong Wang,Jun Gao
标识
DOI:10.1016/j.fluid.2023.113942
摘要
In the process of polymerizing vinylidene fluoride, a mixture of isopropyl alcohol (IPA) and dimethyl carbonate (DMC) was generated. DMC is hard to separate from IPA since the two substances can form an azeotrope. Liquid-liquid extraction is often used to separate azeotropic systems due to their advantages of energy-saving and low cost. In this work, ionic liquids were selected as the extractants to separate the azeotrope. To obtain the suitable ILs, we calculated the σ-profiles of DMC, IPA, [H2PO4]−, [HSO4]−, [NO3]−, [PF6]−, [BF4]−, and [OTF]−by the COSMO model, and further revealed the extraction mechanism through the electrostatic potential (ESP), reduced density gradient (RDG) and interaction energies analysis. To verify the theoretical calculation results, the liquid-liquid equilibrium (LLE) data of DMC-IPA-[Emim][H2PO4]/[Emim][HSO4]/[Emim][NO3] was measured at 298.15 K and 101.32 kPa, the experimental results are consistent with the theoretical calculation results. Meanwhile, the NRTL interaction parameters were regressed using the least squares method, and the RMSD values were all less than 0.009, which indicated the NRTL model was suitable for this system. The combination of experiment and theoretical calculation provides a new idea for separating the DMC-IPA system using ILs.
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