Optimisation of the thermodynamic properties of the Ti-H and Zr-H systems

E.Konigsberger; G.Eriksson

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Optimisation of the thermodynamic properties of the Ti-H and Zr-H systems

机译：Ti-H和Zr-H系统的热力学性质的优化

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A thermodynamic assessment of the Calphad-type ofthe Ti-H and Zr-H systems was carried out. This implies all theavailable experimental data being used together in optimising theparameters of the various solution models for the different phasesinvolved to create a self-consistent data set. In this work, phasediagram data, partial molar enthalpies and hydrogen isothermswere used to simultaneousl adjust parameters for standard Gibbsenergies and excess Gibbs functions described by the compoundenergy formatism. All experimental imput data, as well as derivedpartial molar entropies of hydrogen, which were not used in theoptimisation, are very well reproduced by the parameters obtained.

机译：对Ti-H和Zr-H系统的Calphad型进行了热力学评估。这意味着所有可用的实验数据将一起用于针对不同阶段优化各种解决方案模型的参数，从而创建一个自洽的数据集。在这项工作中，使用相图数据，部分摩尔焓和氢等温线同时调整标准吉布斯能和复合能形成主义所描述的多余吉布斯函数的参数。未在优化中使用的所有实验输入数据以及衍生的氢的部分摩尔熵都可以通过获得的参数很好地重现。

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《Journal of Alloys and Compounds: An Interdisciplinary Journal of Materials Science and Solid-state Chemistry and Physics》 |2000年第2期|共5页
作者
E.Konigsberger; G.Eriksson;
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原文格式 PDF
正文语种 eng
中图分类合金学与各种性质合金;金属材料;
关键词
hydrogen storage materials; gas-solid reactions; phase diagrams; thermodynamic properties;

机译：储氢材料;气固反应;相图;热力学性质;

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Optimisation of the thermodynamic properties of the Ti-H and Zr-H systems

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