Solubility and Thermodynamic Modeling of Dimethyl Terephthalate in Pure Solvents and the Evaluation of the Mixing Properties of the Solutions

溶解度 对苯二甲酸二甲酯 混合(物理) 材料科学 化学工程 化学 热力学 有机化学 聚酯纤维 物理 量子力学 工程类
作者
Zhichao Zhang,Yixin Qu,Manman Li,Shui Wang,Jidong Wang
出处
期刊:Journal of Chemical & Engineering Data [American Chemical Society]
卷期号:64 (10): 4565-4579 被引量:17
标识
DOI:10.1021/acs.jced.9b00658
摘要

In this work, the solubility of dimethyl terephthalate (DMT) in alcohols (methanol, ethanol, n-propanol, i-propanol, n-butanol, and i-butanol), esters (ethyl acetate, i-propyl acetate, n-propyl acetate, n-butyl acetate, n-amyl acetate, and methyl propionate), ketones (acetone, methyl ethyl ketone, and cyclohexanone), acetonitrile, and chloroform was experimentally determined. The solubility of DMT in these solvents follows the order: chloroform > esters and ketones > acetonitrile > alcohols and increases with increasing temperature. The solubility of DMT as a function of temperature has been regressed in terms of three semiempirical models (modified Apelblat, λh, and three-parameter Van't Hoff) and two activity coefficient models (Wilson and nonrandom two-liquid), which gave a maximum relative average deviation of 2.32% and a maximum root-mean-square deviation of 31.63 × 10–5. Better fittings were obtained with the activity coefficient models. In addition, the mixing properties (Gibbs energy, enthalpy, entropy, as well as activity coefficients and reduced excess enthalpy at infinitesimal concentration) were evaluated using the Wilson model.

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