首页> 外文期刊>Journal of Molecular Liquids >Remarks and further analysis on 'Solubility and dissolution thermodynamic properties of 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]hexane in pure solvents and binary solvent mixtures'
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Remarks and further analysis on 'Solubility and dissolution thermodynamic properties of 1,6-Bis[3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionamido]hexane in pure solvents and binary solvent mixtures'

机译:纯溶剂和二元溶剂混合物中的“1,6-双(3-(3,5-二叔 - 丁基-4-羟基苯基)己烷”的“溶解度和溶解热力学性质的”溶解度和溶解热力学性质“的备注及进一步分析”

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Errors are discovered regarding the published equation coefficients of Zhang and coworkers [J. Mol. Liq. 252 (2018) 103-1111 for mathematically describing the solubility behavior of 1,6-bis[3-(3,5-di-tert-buty1-4-hydroxyphenyl)propion-amido]hexane (Irganox 1098) in neat organic solvents using the NRTL model. Larger differences are found between our back-calculated data and those reported in the authors' published paper. The expression of NRTL model was corrected and the equation parameters were re-regressed. Furthermore, the preferential solvation parameters (delta x(1,3)) of Irganox 1098 in two solvent mixtures of ethyl acetate (1) + ethhanol (2) and acetone (1) + ethanol (2) at 298.15 K were derived from their available solubility data using the inverse Kirkwood-Buff integrals method. In the ethyl acetate (1) + ethanol (2) mixture with the composition 0.40 x(1) 1, Irganox 1098 was preferentially solvated by ethanol. However in the ethyl acetate (1) + ethanol (2) mixture with the composition 0 x(1) 0.40 and the acetone (1) + ethanol (2) mixture over the whole composition range, the Irganox 1098 is preferentially solvated neither by ethyl acetate or acetone nor by ethanol. (C) 2018 Elsevier B.V. All rights reserved.
机译:关于Zhang和Coworkers的公布方程系数发现错误[J.摩尔。 liq。 252(2018)103-1111用于数学描述1,6-双[3-(3,5-二叔 - 丁基-4-羟基苯基)丙酮己烷(Irganox 1098)的溶解度行为在整洁的有机溶剂中的己烷(Irganox 1098)使用NRTL模型。在我们的后计算数据和作者发表论文中报告的数据之间发现了更大的差异。校正NRTL模型的表达,并重新回归等式参数。此外,在298.15k的乙酸乙酯(1)+乙醇(2)和丙酮(1)+乙醇(2)的两种溶剂混合物中Irganox 1098的优先溶剂化参数(Delta x(1,3))衍生自298.15k使用逆kirkwood-buff积分方法的可用溶解性数据。在乙酸乙酯(1)+乙醇(2)混合物中,组合物0.40& x(1)&如图1所示,Irganox 1098优先通过乙醇溶剂化。但是在乙酸乙酯(1)+乙醇(2)与组合物0 +的混合物中。 x(1)& 0.40和丙酮(1)+乙醇(2)在整个组成范围内混合物,Irganox 1098既不均由乙酸乙酯或丙酮也不溶解,也不是乙醇。 (c)2018年elestvier b.v.保留所有权利。

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