Thermodynamic Evaluation and Optimization of the Ag-As-S system

被引:0
作者
Oumaima Kidari
Patrice Chartrand
机构
[1] Polytechnique Montréal,Center for Research in Computational Thermochemistry (CRCT), Department of Chemical Engineering
来源
Journal of Phase Equilibria and Diffusion | 2023年 / 44卷
关键词
arsenic; CALPHAD; modified quasichemical model; speiss; thermodynamic modeling;
D O I
暂无
中图分类号
学科分类号
摘要
A critical evaluation of all available phase diagram and thermodynamic data has been performed for Ag-As, Ag-S, As-S and Ag-As-S systems, including a detailed review of the gaseous species involved in the As-S system. Thermodynamic assessments over the whole composition range for these four systems are presented using the CALPHAD method. To predict thermodynamic properties and phase equilibria, the Modified Quasichemical Model for short range ordering was used for the liquid phases, and the Compound Energy Formalism was used for the solid solutions. For the As-S binary system, natural logarithm terms for the temperature dependence of the excess Gibbs energy of the liquid solution have been used. This led to a significant improvement compared with the previous assessment of this system. The optimization of Ag-As-S systems is in good agreement with the existing experimental data.
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页码:269 / 299
页数:30
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