Thermodynamic calculation of the Ga-Sm binary system

M. A. Boukideur, N. Selhaoui, F. Z. C. Alaoui, A. Aharoune
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引用次数: 1

Abstract

By virtue of its incomparable chemical, magnetic, electrical, optical and catalytic properties, the alloy of the Ga- Sm system is gaining importance in the high-tech industry. However, the lack of experimental thermodynamic data on this system made it difficult to design efficient extraction processes. In this regard, thermodynamic calculations can serve as a cost effective tool in terms of time and money in order to design a process to explore the thermodynamic properties of this system. Hence its modeling using the CALPHAD method via Thermo-calc. The Orthorhombic, Rhombohedral, Bcc, Hcp and liquid phases found in the solution were optimized with the substitutional solution model by the Redlich-Kister equation. The Ga-Sm binary system contains five stoichiometric compounds: Ga6Sm_BT, Ga6Sm_HT, GaSm, Ga3Sm5and GaSm3 and the Ga2Sm intermetallic compound, which have a wide homogeneity range, were treated as the formula (GA)2,(Ga,SM)1 by a two-sublattice model with Gallium and Samrium or Gallium on the first sublattice, and Gallium and Samarium on the second, respectively. A set of thermodynamic properties and parameters of the Ga-Sm binary system was obtained, and they are in good agreement with the experimental thermodynamic parameters available in the literature.
Ga-Sm二元体系的热力学计算
由于其无可比拟的化学、磁性、电学、光学和催化性能,镓-钐系合金在高新技术产业中越来越重要。然而,由于缺乏该系统的实验热力学数据,使得设计有效的提取工艺变得困难。在这方面,热力学计算可以作为在时间和金钱方面具有成本效益的工具,以便设计一个过程来探索该系统的热力学性质。因此,它的建模使用calphhad方法通过热计算。利用Redlich-Kister方程的替代溶液模型对溶液中的正交、菱形、Bcc、Hcp和液相进行了优化。GA - SM二元体系包含5种化学计量化合物:Ga6Sm_BT、Ga6Sm_HT、GaSm、ga3sm5和GaSm3,其中Ga2Sm金属间化合物具有较宽的均匀性范围,采用双亚晶格模型将其视为式(GA)2、(GA,SM)1,其中镓和钐或镓在第一个亚晶格上,镓和钐分别在第二个亚晶格上。得到了一组Ga-Sm二元体系的热力学性质和参数,它们与文献中的实验热力学参数符合得很好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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