用有机溶剂分离乙酸:液-液平衡热力学研究

IF 1.4 Q3 CHEMISTRY, MULTIDISCIPLINARY

Physical Chemistry Research Pub Date : 2020-06-01 DOI:10.22036/PCR.2020.205810.1693

Majid Mohadesi, R. Rezaei

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引用次数: 2

摘要

乙酸是最重要的羧酸之一，用于许多反应，包括乙酸酯的合成。由于工业和环境优势，从稀水溶液中分离乙酸最近受到了广泛关注。在本研究中，我们研究了由水+乙酸+有机溶剂组成的三元体系在不同温度下的液-液平衡。在本研究中，使用各种热力学模型（非随机双液（NRTL）和通用准化学（UNIQUAC）模型）来预测水相和有机相中组分的组成。在这些模型中，分子间相互作用被认为是反温度的二项式函数。两个模型的参数是通过优化目标函数来确定的。NRTL和UNIQUAC模型预测水+乙酸+有机溶剂三元混合物中组分组成的均方根偏差分别为0.0273和0.0422。

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Separation of Acetic Acid from Water Using Organic Solvents: Liquid-Liquid Equilibrium Thermodynamic Investigation

Acetic acid is one of the most important carboxylic acids which is used in many reactions, including the synthesis of acetic esters. Because of industrial and environmental advantages, the separation of acetic acid from dilute aqueous solutions has recently received much attention. In this study we investigated liquid-liquid equilibrium of a ternary system consisted of water+ acetic acid+ organic solvent at various temperatures. In this study, various thermodynamic models (Non-Random Two-Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) models) were used to predict the composition of component in aqueous and organic phases. In these models, intermolecular interaction were considered as a binomial function of reverse temperature. The parameters of two models were determined through the optimization of an objective function. Root mean square deviations of the NRTL and UNIQUAC models to predict the composition of the components in the ternary mixture of water+ acetic acid+ organic solvent were 0.0273 and 0.0422, respectively.

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来源期刊

Physical Chemistry Research CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

2.70

自引率

8.30%

发文量

期刊介绍： The motivation for this new journal is the tremendous increasing of useful articles in the field of Physical Chemistry and the related subjects in recent years, and the need of communication between Physical Chemists, Physicists and Biophysicists. We attempt to establish this fruitful communication and quick publication. High quality original papers in English dealing with experimental, theoretical and applied research related to physics and chemistry are welcomed. This journal accepts your report for publication as a regular article, review, and Letter. Review articles discussing specific areas of physical chemistry of current chemical or physical importance are also published. Subjects of Interest: Thermodynamics, Statistical Mechanics, Statistical Thermodynamics, Molecular Spectroscopy, Quantum Chemistry, Computational Chemistry, Physical Chemistry of Life Sciences, Surface Chemistry, Catalysis, Physical Chemistry of Electrochemistry, Kinetics, Nanochemistry and Nanophysics, Liquid Crystals, Ionic Liquid, Photochemistry, Experimental article of Physical chemistry. Mathematical Chemistry.