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引用次数: 0
摘要
有关金与稀土金属或镧系元素合金混合行为的完整信息非常稀少。因此,本研究尝试使用不同的理论方法计算和研究金-拉液态合金的热力学性质、结构性质和表面性质与温度和浓度的关系。在 Redlich-Kister 多项式框架内,利用现有的相互作用能参数系数计算了热力学性质,如混合的过量吉布斯自由能、混合焓、混合过量熵和系统的活性。以这些参数为参考值,在 1473 K 时对准晶格模型的模型参数进行了优化。然后计算了 1473 K-1773 K 温度范围内的热力学和结构特性。系统的表面特性是使用 Bulter 模型,利用确定的各组分部分过剩吉布斯自由能值计算得出的。目前的研究表明,随着体系温度的升高,体系形成化合物的趋势逐渐减弱。
Thermodynamic, structural and surface properties of rare earth metallic alloys: Au-La liquid system
A complete information related to the mixing behaviours of Au alloyed with rare earth metals or lanthanides is very scarce. Therefore, an attempt has been made in this work to compute and study the temperature and concentration dependent thermodynamic, structural and surface properties of Au-La liquid alloy using different theoretical approaches. The thermodynamic properties, such as excess Gibbs free energy of mixing, enthalpy of mixing, excess entropy of mixing and activity of the system were computed using available coefficients of interaction energy parameters in the framework of Redlich-Kister polynomial. Taking these as reference values, model parameters for quasi-lattice model were optimised at 1473 K. The model parameters were then determined at higher temperatures assuming them to be linear temperature-dependent. The thermodynamic and structural properties were then computed in the temperature range 1473 K-1773 K. The surface properties of the system were computed using Bulter’s model using determined values of partial excess Gibbs free energy of its components. Present investigations revealed that the compound forming tendency of the system gradually decreased with increase in temperature of the system.