N-Ethyl-N-methylpyrrolidine Thiocyanate: Thermodynamic Parameters Measurements and Application Potential in Separation of the Azeotrope

IF 2.9 2区化学 Q3 CHEMISTRY, PHYSICAL

The Journal of Physical Chemistry B Pub Date : 2025-04-28 DOI:10.1021/acs.jpcb.5c0002110.1021/acs.jpcb.5c00021

Biao Liu, Qiang Wang*, Shiqi Liu, Jiajie Liu, Liangliang Peng and Tao Li,

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Abstract

This study investigated the thermodynamic parameters of ionic liquid N-ethyl-N-methylpyrrolidine thiocyanate ([EMPYR][SCN]) by using inverse gas chromatography. The parameters included weight fraction activity coefficients (Ω₁₂^∞), Flory–Huggins interaction parameters (χ₁₂^∞), and infinite dilution activity coefficients (γ₁₂^∞). Based on these, the vapor–liquid equilibrium data of the [EMPYR][SCN]-solvent system at 343.15 K were determined, and the key nonrandom two liquid model parameters were obtained through fitting. The Aspen Plus software was utilized to draw the equilibrium phase diagram of the ternary system ([EMPYR][SCN]-methanol/ethanol/thiophene-benzene), which confirmed its effectiveness in separating three azeotropic mixtures. Comparative analysis indicated that compared with four other ILs, [EMPYR][SCN] exhibited better separation performance in the benzene/thiophene system, highlighting its potential as an efficient solvent for azeotrope separation.

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n -乙基- n -甲基吡咯烷硫氰酸酯：热力学参数测量及其在共沸物分离中的应用潜力

采用反相气相色谱法研究了离子液体n -乙基- n -甲基吡咯烷硫氰酸盐（[EMPYR][SCN]）的热力学参数。参数包括权重分数活度系数（Ω12∞）、Flory-Huggins相互作用参数（χ12∞）和无限稀释活度系数（γ12∞）。在此基础上，测定了343.15 K时[EMPYR][SCN]-溶剂体系的汽液平衡数据，并通过拟合得到了关键的非随机两种液体模型参数。利用Aspen Plus软件绘制了三元体系（[EMPYR][SCN]-甲醇/乙醇/噻吩-苯）的平衡相图，证实了其在分离三种共异性混合物中的有效性。对比分析表明，[EMPYR][SCN]在苯/噻吩体系中表现出较好的分离性能，显示了其作为共沸物分离溶剂的潜力。

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来源期刊

The Journal of Physical Chemistry B 化学-物理化学

CiteScore

5.80

自引率

9.10%

发文量

965

审稿时长

1.6 months

期刊介绍： An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.