UNIFAC公司
化学
非随机双液模型
热力学
醋酸
乙酸丁酯
酒
活度系数
叔丁醇
平衡常数
同种类的
化学平衡
物理化学
有机化学
水溶液
物理
溶剂
作者
Maria Toikka,Alexander Smirnov,Maya Trofimova,Alexandra Golikova,Igor Prikhodko,Artemiy A. Samarov,Alexander Toikka
标识
DOI:10.1021/acs.jced.3c00009
摘要
The study of chemical equilibria for the acetic acid–n-butyl alcohol–n-butyl acetate–water system at 318.15 K and 101.3 kPa is presented. New experimental data are obtained for chemically equilibrium states in homogeneous and heterogeneous regions with the use of gas chromatography analysis. Critical states corresponding to chemically equilibrium regions are discussed. All results are displayed on concentration diagrams in 3D and 2D versions (using variables α). As a result of comparing the obtained results with the literature data, the corresponding conclusions were drawn. For the correlation of experimental data, the model NRTL was applied. The analysis and calculation of concentration and thermodynamic equilibrium constants have been carried out. The model UNIFAC was used to calculate the thermodynamic constant.
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