Determination of the Mixing Thermodynamic Properties of Liquid Ternary Alloys by Fitting the Knudsen Effusion Mass Spectrometric Data to the Redlich-Kister-Muggianu Sub-Regular Solution Model

L. Bencze, A. Popovič
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引用次数: 1

Abstract

We discuss the vaporisation of four liquid ternary-alloy systems, namely, Cu-In-Sn, Ag-In-Sn, Al-Cu-Sn and Cu-Sb-Sn, on the basis of our previous Knudsen effusion mass spectrometric (KEMS) investigations of these systems. The thermodynamic activities and the thermodynamic functions (Gibbs energy, enthalpy, entropy) of mixing were determined using selected standard KEMS procedures (i.e., Simple Pressure Calibration Method (SPC), Oligomer Composition Change Method (OCC), Isothermal Evaporation Method (IEM) and Gibbs-Duhem Ion Intensity Ratio Method (GD-IIR)). In addition, the same thermodynamic quantities, as well as the so-called ternary interaction (L-) parameters, were also obtained from the composition dependence of the measured ion-intensity ratios using a new mathematical procedure (RKM-KEMS). The essence of this new procedure is the fitting of the measured intensity-ratio data were to the Redlich-Kister-Muggianu (RKM) sub-regular solution model, and this model is valid for many liquid ternary alloys, including the systems reviewed here. A full description of the mathematical derivation of RKM-KEMS is given in this work. The primary and intermediate data, obtained directly from the multiple-regression as output data, are the RKM ternary interaction L-parameters. From these quantities, the integral molar excess Gibbs energy, the excess chemical potentials, the activity coefficients and the activities were evaluated in this order. In addition, using the temperature dependence of activities, the integral and partial molar excess enthalpies and entropies could also be determined. The thermodynamic data obtained with the above-mentioned conventional KEMS methods and with the new RKM-KEMS procedure were compared and a good agreement was obtained for the systems studied.
用Knudsen渗出质谱数据拟合Redlich-Kister-Muggianu亚规则溶液模型测定三元合金液体混合热力学性质
我们讨论了四种液态三元合金体系,即Cu-In-Sn, Ag-In-Sn, Al-Cu-Sn和Cu-Sb-Sn的汽化,基于我们之前对这些体系的Knudsen渗出质谱(KEMS)研究。采用简单压力校准法(SPC)、低聚物组成变化法(OCC)、等温蒸发法(IEM)和吉布斯-杜hem离子强度比法(GD-IIR)等标准keems方法测定混合过程的热力学活动和热力学函数(吉布斯能、焓、熵)。此外,采用一种新的数学方法(RKM-KEMS),从测量离子强度比的组成依赖性中获得了相同的热力学量以及所谓的三元相互作用(L-)参数。这一新方法的实质是将测量的强度比数据拟合到Redlich-Kister-Muggianu (RKM)亚规则溶液模型中,该模型适用于许多液态三元合金,包括本文综述的体系。本文对RKM-KEMS的数学推导进行了详细的描述。作为输出数据,直接从多元回归中获得的主要和中间数据是RKM三元相互作用的l参数。根据这些量,按此顺序求出了积分摩尔过量吉布斯能、过量化学势、活度系数和活度。此外,利用活度的温度依赖性,还可以确定整体和部分摩尔过量焓和熵。将上述传统的KEMS方法和新的RKM-KEMS方法所得到的热力学数据进行了比较,结果表明所研究的系统具有较好的一致性。
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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