基于二元数据的多组分溶液统一外推法热力学模型

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL
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引用次数: 0

摘要

根据二元数据预测多组分溶液的热力学性质是非常理想的。然而,由于获取亚二元项摩尔组成的机制不明确,传统方法在实际应用中面临许多挑战。本文从 Kohler 模型的假设出发,提出了一种新的外推法模型。它通过引入贡献系数(由两个组分之间的性质差异定义),以明确的机制确定了每个亚二元体系的摩尔成分点。此外,新模型还能从数学上获得亚二元体系的所有潜在摩尔组成点。此外,还推荐了一种简单有效的方法来计算两种成分之间的性质差异。我们在几个具有不同性质的多组分合金体系中演示了这种新外推法模型的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Unified Extrapolation thermodynamic model for multicomponent solutions based on binary data

Predicting the thermodynamic properties of multicomponent solution based on binary data is highly desirable. However, traditional methods face many challenges in practical applications due to the unclear mechanisms for obtaining the molar composition of sub-binary terms. In this article, a new extrapolation model is suggested, which derived from the assumption of the Kohler model. It determines the molar composition points of each sub-binary system through a clear mechanism by introducing the contribution coefficient, defined by the property differences between two components. Moreover, the new model can mathematically obtain all potential molar composition points of sub-binary systems. Additionally, a simple and effective method for calculating the property difference between two components is recommended. The performance of this new extrapolation model is demonstrated in several multicomponent alloy systems with different properties.

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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
期刊介绍: Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes
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