优等
非随机双液模型
化学
UNIFAC公司
活度系数
离子液体
三元运算
双节的
己烷
正丙醇
热力学
丙醇
相(物质)
色谱法
相图
物理化学
乙醇
有机化学
水溶液
程序设计语言
催化作用
物理
计算机科学
作者
Yixin Ma,Xicai Xu,Gui‐Lin Wen,Dongmei Xu,Puyun Shi,Yinglong Wang,Jun Gao
标识
DOI:10.1021/acs.jced.7b00643
摘要
To separate the azeotropes of hexane + ethanol/1-propanol, two ionic liquids [HMIM][BF4] and [HMIM][OTf] were adopted as extractive agents. The corresponding ternary liquid–liquid equilibrium data for the mixtures of hexane + ethanol + [HMIM][BF4], hexane +1-propanol + [HMIM][BF4], and hexane +1-propanol + [HMIM][OTf] were measured at 298.15 K and 101.3 kPa. The distribution coefficient (B) and selectivity (S) were obtained to evaluate the separation performance of the selected extractants to extract ethanol/1-propanol from the azeotropes. Meanwhile, the influence of the ILs' anions and the alcohol carbon chain length were investigated. In addition, the nonrandom two-liquid (NRTL) and universal quasichemical activity coefficient (UNIQUAC) models were adopted to correlate the ternary liquid–liquid equilibrium data, and the binary interactive parameters were regressed. Also, the calculated results of the models agreeed with the measured data. Meanwhile, the binodal curves of the ternary systems were predicted using the universial functional activity coefficient (UNIFAC) model.
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