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Experiment and Correlation of Liquid–Liquid Equilibrium Data for Water + 2-Propanol + 1-Octanol or n-Propyl Acetate at 298.2, 308.2, and 318.2 K under 101.3 kPa
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2021-08-25 , DOI: 10.1021/acs.jced.1c00488
Yuanyuan Han 1 , Houchun Yan 1 , Mai Han 1 , Wei Wang 2 , Jia Han 3 , Tao Xing 3 , Bing Li 2 , Qingsong Li 1
Affiliation  

The basic liquid–liquid equilibrium data of two systems {water + 2-propanol (IPA) + 1-octanol/n-propyl acetate} were measured. The distribution coefficients of the 2-propanol and the separation factors of the systems were calculated to analyze the extraction ability of the two extractants that extract IPA from water. The correlation model Hand equation was used to fit the data. The value of the linear correlation coefficient R2 > 0.99 indicates that the linear fit of the experimental data is good. The theoretical models NRTL and UNIQUAC were used to correlate the measured data. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD). The RMSD < 0.01 means that the two models were suitable for the regression of the systems studied in this work. GUI-MATLAB has validated the binary interaction parameters. The basic data obtained from this work can support the separation of water and IPA.

中文翻译:

水 + 2-丙醇 + 1-辛醇或乙酸正丙酯在 298.2、308.2 和 318.2 K 和 101.3 kPa 下的液-液平衡数据的实验和相关性

测量了两个系统{水+2-丙醇(IPA)+1-辛醇/乙酸丙酯}的基本液-液平衡数据。计算了2-丙醇的分配系数和系统的分离系数,分析了从水中提取IPA的两种提取剂的提取能力。相关模型Hand方程用于拟合数据。线性相关系数R 2 的值> 0.99 表示实验数据的线性拟合良好。理论模型 NRTL 和 UNIQUAC 用于关联测量数据。实验数据和模拟数据之间的偏差由均方根偏差(RMSD)计算。RMSD < 0.01 意味着这两个模型适用于本工作中研究的系统的回归。GUI-MATLAB 已经验证了二进制交互参数。从这项工作中获得的基础数据可以支持水和 IPA 的分离。
更新日期:2021-09-09
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