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A comparative study of liquid–liquid equilibria for aqueous mixtures of straight chain and branched chain carboxylic acids with methyl isobutyl carbinol
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-04-01 , DOI: 10.1016/j.jct.2019.106026 A. Ghanadzadeh Gilani , F. Amouzadeh , B. Ghalami-Choobar
The Journal of Chemical Thermodynamics ( IF 2.6 ) Pub Date : 2020-04-01 , DOI: 10.1016/j.jct.2019.106026 A. Ghanadzadeh Gilani , F. Amouzadeh , B. Ghalami-Choobar
Abstract Liquid-liquid equilibrium (LLE) data of the (water + butyric or 3-methylbutyric acids + methyl isobutyl carbinol) ternary systems were experimentally obtained at T = (298.2, 303.2, and 308.2) K and P = 0.1 MPa for the first time. Using solubility and tie-line measurements, the triangle phase diagrams were obtained and influence of the chemical structure of the acids on the LLE behaviour was studied. The first ternary aqueous system containing butyric acid and the alcohol displays type-1 LLE behaviour, while the second one including 3-methylbutyric acid exhibits type-2 phase diagram. The reliability of the experimental data was checked using the Othmer-Tobias and Hand correlation equations. The UNIQUAC and NRTL thermodynamic models were used to fit the experimental tie line data and values of the corresponding binary interaction parameters were determined. The binary model parameters were optimized by the MATLAB fminsearch function. According to the experimental tie-line data, distribution coefficients and separation factors were determined for the studied systems.
中文翻译:
直链和支链羧酸与甲基异丁基甲醇的水性混合物液-液平衡的比较研究
摘要 (水 + 丁酸或 3-甲基丁酸 + 甲基异丁基甲醇) 三元体系的液-液平衡 (LLE) 数据是在 T = (298.2, 303.2, 和 308.2) K 和 P = 0.1 MPa 条件下实验获得的。时间。使用溶解度和连接线测量,获得了三角相图,并研究了酸的化学结构对 LLE 行为的影响。第一个包含丁酸和醇的三元水性体系显示出 1 型 LLE 行为,而包含 3-甲基丁酸的第二个则显示出 2 型相图。使用 Othmer-Tobias 和 Hand 相关方程检查实验数据的可靠性。UNIQUAC 和 NRTL 热力学模型用于拟合实验连接线数据,并确定相应二元相互作用参数的值。二元模型参数由MATLAB fminsearch 函数优化。根据实验联络线数据,确定了研究系统的分配系数和分离系数。
更新日期:2020-04-01
中文翻译:
直链和支链羧酸与甲基异丁基甲醇的水性混合物液-液平衡的比较研究
摘要 (水 + 丁酸或 3-甲基丁酸 + 甲基异丁基甲醇) 三元体系的液-液平衡 (LLE) 数据是在 T = (298.2, 303.2, 和 308.2) K 和 P = 0.1 MPa 条件下实验获得的。时间。使用溶解度和连接线测量,获得了三角相图,并研究了酸的化学结构对 LLE 行为的影响。第一个包含丁酸和醇的三元水性体系显示出 1 型 LLE 行为,而包含 3-甲基丁酸的第二个则显示出 2 型相图。使用 Othmer-Tobias 和 Hand 相关方程检查实验数据的可靠性。UNIQUAC 和 NRTL 热力学模型用于拟合实验连接线数据,并确定相应二元相互作用参数的值。二元模型参数由MATLAB fminsearch 函数优化。根据实验联络线数据,确定了研究系统的分配系数和分离系数。