293.2 K下三元混合物(碳酸丙烯酯+甲苯或苯酚+正己烷或正辛烷)的液-液平衡研究和热力学模型

IF 2.1 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY
Sina Shekarsaraee*, Zeynab Mohammadi and Niyayesh Narimani Sabegh, 
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引用次数: 0

摘要

研究了碳酸丙烯(PC) +甲苯或苯酚+正己烷或正辛烷四种三元体系在293.2 K和101.3 kPa下的液液平衡。本研究旨在评估PC萃取非极性和极性芳香族化合物的效果,这些化合物的摩尔质量与汽油成分相似。使用折射率测量来确定系线数据和互溶度,而云点滴定法用于定义二元相区。含甲苯的体系表现为I型LLE行为,而含苯酚的体系表现为II型LLE行为。实验系线与NRTL和UNIQUAC模型相关,rmsd值低于1%,表明模型精度良好。通过MATLAB GUI工具验证NRTL二元交互参数,并计算活度系数。甲苯在两相中均表现出对拉乌尔定律的负偏离,而苯酚在低苯酚浓度下表现为负偏离,在烷烃相中表现为正偏离。分布系数和选择性证实了PC具有较强的萃取能力,特别是对苯酚的萃取能力显著高于对甲苯的萃取能力,说明PC对极性芳香族化合物的萃取效率更高。
本文章由计算机程序翻译,如有差异,请以英文原文为准。

Liquid–Liquid Equilibrium Investigations and Thermodynamic Modeling of Ternary Mixtures (Propylene Carbonate + Toluene or Phenol + n-Hexane or n-Octane) at 293.2 K

Liquid–Liquid Equilibrium Investigations and Thermodynamic Modeling of Ternary Mixtures (Propylene Carbonate + Toluene or Phenol + n-Hexane or n-Octane) at 293.2 K

The liquid–liquid equilibria (LLE) of four ternary systems (propylene carbonate (PC) + toluene or phenol + n-hexane or n-octane) were studied at 293.2 K and 101.3 kPa. The study aimed to assess the effectiveness of PC in extracting nonpolar and polar aromatic compounds from alkanes with molar weights similar to gasoline components. Tie-line data and mutual solubilities were determined using refractive index measurements, while cloud point titration was employed to define binary phase regions. Systems with toluene exhibited Type I LLE behavior, while those with phenol showed Type II behavior. Experimental tie-lines were correlated with NRTL and UNIQUAC models, yielding rmsd values below 1%, indicating excellent model accuracy. NRTL binary interaction parameters were validated via MATLAB GUI tools, and activity coefficients were calculated. Toluene exhibited negative deviations from Raoult’s law in both phases, whereas phenol showed negative deviations at low phenol concentrations, with positive deviations observed in the alkane phase. Distribution coefficients and selectivities confirmed the strong extraction ability of PC, particularly for phenol, which exhibited values significantly higher than those of toluene, highlighting the greater separation efficiency for polar aromatic compounds.

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来源期刊
Journal of Chemical & Engineering Data
Journal of Chemical & Engineering Data 工程技术-工程:化工
CiteScore
5.20
自引率
19.20%
发文量
324
审稿时长
2.2 months
期刊介绍: The Journal of Chemical & Engineering Data is a monthly journal devoted to the publication of data obtained from both experiment and computation, which are viewed as complementary. It is the only American Chemical Society journal primarily concerned with articles containing data on the phase behavior and the physical, thermodynamic, and transport properties of well-defined materials, including complex mixtures of known compositions. While environmental and biological samples are of interest, their compositions must be known and reproducible. As a result, adsorption on natural product materials does not generally fit within the scope of Journal of Chemical & Engineering Data.
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