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首页> 外文期刊>Journal of Molecular Liquids >Determination and modelling of solid-liquid phase equilibrium and phase diagram for multicomponent system of nitrobenzaldehyde isomers. (I) Ternary system of 4-nitrobenzaldehyde+3-nitrobenzaldehyde plus ethyl acetate
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Determination and modelling of solid-liquid phase equilibrium and phase diagram for multicomponent system of nitrobenzaldehyde isomers. (I) Ternary system of 4-nitrobenzaldehyde+3-nitrobenzaldehyde plus ethyl acetate

机译：硝基苯甲酯异构体多组分体系的固液相平衡和相图的测定与建模。 （i）4-硝基苯醛+ 3-硝基苯甲醛加乙酸乙酯的三元体系

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In this work, the solid-liquid phase equilibrium data for ternary system of 4-nitrobenzaldehyde + 3-nitrobenzaldehyde + ethyl acetate were determined by using an isothermal saturation method at three temperatures of 278.15 K, 288.15 K, and 298.15 K under atmosphere pressure (1012 kPa). Three isothermal phase diagrams were built based on the measured solubility data. There were two pure solids formed in the ternary system at a certain temperature, which corresponded to pure 3-nitrobenzaldehyde and pure 4-nitrobenzaldehyde, and were confirmed by Schreinemaker's method of wet residue and X-ray powder diffraction. The crystallization region of 4-nitrobenzaldehyde was larger than that of 3-nitrobenzaldehyde at each temperature. Two thermodynamic models, NRTL and Wilson were employed to correlate and calculate the mutual solubility data for the system of 4-nitrobenzaldehyde + 3-nitrobenzaldehyde + ethyl acetate. The largest value of RMSD for the ternary system was 5.95 x 10(-3), and the maximum value of RAD was 3.02%. The calculated results with NRTL model agreed well than those with Wilson model. The solid-liquid equilibrium phase diagrams and the thermodynamic models for the ternary system can provide the foundation for separating high purity3-nitrobenzaldehyde or 4-nitrobenzaldehyde from its isomeric mixtures. (C) 2017 Elsevier B.V. All rights reserved.
机译：在这项工作中，通过在大气压下的三个温度下使用等温饱和法测定4-硝基苯醛+ 3-硝基苯甲醛+乙酸乙酸乙酯的固液相平衡数据通过使用等温饱和法测定了大气压下的298.15K（ 1012 KPA）。基于测量的溶解度数据构建了三个等温相位图。在一定温度下，在三元体系中形成了两种纯固体，其对应于纯3-硝基苯醛和纯4-硝基苯醛，并通过Schreinemaker的湿残余物和X射线粉末衍射证实。 4-硝基苯醛的结晶区大于每个温度的3-硝基苯甲醛。使用两个热力学模型，NRT1和Wilson与4-硝基苯甲醛+ 3-硝基苯甲醛+乙酸乙酯的系统相互溶解性数据进行相关性和计算。三元系统的RMSD的最大值为5.95×10（-3），RAD的最大值为3.02％。使用NRTL模型的计算结果与Wilson模型的NRTL模型同意。用于三元系统的固液平衡相图和热力学模型可以为从其异构混合物中分离高纯度3-硝基苯甲醛或4-硝基苯醛的基础。 （c）2017年Elsevier B.V.保留所有权利。

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