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首页> 外文期刊>The Journal of Chemical Thermodynamics >A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents
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A metallic solution model with adjustable parameter for describing ternary thermodynamic properties from its binary constituents

机译:具有可调参数的金属溶液模型,用于从其二元成分描述三元热力学性质

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A metallic solution model with adjustable parameter k has been developed to predict thermodynamic properties of ternary systems from those of its constituent three binaries. In the present model, the excess Gibbs free energy for a ternary mixture is expressed as a weighted probability sum of those of binaries and the k value is determined based on an assumption that the ternary interaction generally strengthens the mixing effects for metallic solutions with weak interaction, making the Gibbs free energy of mixing of the ternary system more negative than that before considering the interaction. This point is never considered in the models currently reported, where the only difference in a geometrical definition of molar values of components is considered that do not involve thermodynamic principles but are completely empirical. The current model describes the results of experiments very well, and by adjusting the k value also agrees with those from models used widely in the literature. Three ternary systems, Mg-Cu-Ni, Zn-In-Cd, and Cd-Bi-Pb are recalculated to demonstrate the method of determining k and the precision of the model. The results of the calculations, especially those in Mg-Cu-Ni system, are better than those predicted by the current models in the literature. (c) 2007 Elsevier Ltd. All rights reserved.
机译:已经开发了具有可调参数k的金属溶液模型,以根据其组成的三个二元系统的热力学特性预测三元系统的热力学特性。在本模型中,将三元混合物的多余吉布斯自由能表示为二元混合物的加权概率之和,并基于以下假设确定k值:三元相互作用通常会增强弱相互作用金属溶液的混合效果,使三元体系混合的吉布斯自由能比考虑相互作用之前的负能更大。在当前报告的模型中从未考虑到这一点,在该模型中,认为组分摩尔值的几何定义中的唯一差异不涉及热力学原理,而是完全基于经验的。当前模型很好地描述了实验结果,并且通过调整k值也与文献中广泛使用的模型一致。重新计算了三元体系Mg-Cu-Ni,Zn-In-Cd和Cd-Bi-Pb,以证明确定k的方法和模型的精度。计算结果,特别是在Mg-Cu-Ni体系中的计算结果要优于文献中当前模型所预测的结果。 (c)2007 Elsevier Ltd.保留所有权利。

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