Liquid–Liquid Phase Equilibrium for the Ternary System (Water–Ethanol–Ethyl Caprate): Experimental and Modeling

IF 2 3区 工程技术 Q3 CHEMISTRY, MULTIDISCIPLINARY Journal of Chemical & Engineering Data Pub Date : 2024-05-30 DOI:10.1021/acs.jced.4c00149
Haonan Wang, Jumei Xu, Zuoxiang Zeng* and Weilan Xue, 
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Abstract

The liquid–liquid equilibrium (LLE) of the ternary system (water–ethanol–ethyl caprate) was examined in this study at T = (293.15, 308.15, and 323.15) K and atmospheric pressure. The tie-line data for the studied system at each temperature were determined using the equilibrium still, and the two-phase composition was obtained by gas chromatography. The effect of temperature on the solubility of the ternary system was explored. The ternary phase diagram of the system revealed Treybal’s type I phase diagram, where the immiscible zone decreased with increasing temperature. The consistency of the experimental data was assessed by using the Othmer–Tobias and Hand correlation equations. Using the NRTL and UNIQUAC models, the ternary system LLE data at each temperature were correlated. Two models were used to estimate the LLE data, and for both models, the root-mean-square deviations between the experimental and modeled values were less than 0.0164. This suggests that the phase behavior of the ternary systems of water, ethanol, and ethyl decanoate can be well correlated by both models. Moreover, the UNIQUAC model demonstrates better system suitability compared with the NRTL model. The distribution coefficients (D) and separation factors (S) were calculated.

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三元体系(水-乙醇-癸酸乙酯)的液-液相平衡:实验与建模
本研究在 T = (293.15、308.15 和 323.15) K 和大气压力下考察了三元体系(水-乙醇-癸酸乙酯)的液液平衡 (LLE)。所研究的体系在每个温度下的连接线数据是利用平衡静止法测定的,两相组成则是通过气相色谱法获得的。探讨了温度对三元体系溶解度的影响。该体系的三元相图显示了 Treybal 的 I 型相图,其中不溶区随着温度的升高而减小。使用 Othmer-Tobias 和 Hand 相关方程评估了实验数据的一致性。使用 NRTL 和 UNIQUAC 模型,对每个温度下的三元体系 LLE 数据进行了关联。使用两个模型估算了 LLE 数据,对于这两个模型,实验值与模型值之间的均方根偏差均小于 0.0164。这表明水、乙醇和癸酸乙酯三元体系的相行为在两个模型中都能很好地相互关联。此外,与 NRTL 模型相比,UNIQUAC 模型显示出更好的系统适用性。计算了分配系数(D)和分离因子(S)。
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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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