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Thermodynamic optimization of the Cu–As–S system
Calphad ( IF 1.9 ) Pub Date : 2021-01-12 , DOI: 10.1016/j.calphad.2020.102247
Viktoria Prostakova , Denis Shishin , Evgueni Jak

A literature review, critical assessment and thermodynamic modeling of matte, metal (speiss) and solid phases in the Cu–As–S system are presented. The literature data include enthalpies and entropies of formation, activity measurements using vapor pressure, phase equilibrium and element distribution data. The model for the liquid phase was developed within the framework of the Modified Quasichemical Model (MQM) in pair approximation. Liquid metal and matte phases were described using the single solution with a miscibility gap. Previously published model parameters for the liquid phase in the Cu–S system were modified to achieve agreement with the data for the Cu–As–S system. The resulting set of model parameters was incorporated into a large multicomponent thermodynamic database intended for predictions of phase equilibria, heat balance and distribution of arsenic in the course of pyrometallurgical processing of copper- and lead-containing materials.



中文翻译:

Cu-As-S系统的热力学优化

本文介绍了Cu-As-S系统中的无光泽,金属(speiss)和固相的文献综述,临界评估和热力学模型。文献数据包括形成的焓和熵,使用蒸气压的活度测量,相平衡和元素分布数据。在改进的拟化学模型(MQM)的框架内以对近似法开发了液相模型。使用具有溶混间隙的单一溶液描述了液态金属相和无光泽相。修改了先前发布的Cu–S系统中液相模型参数,以与Cu–As–S系统的数据达成一致。所得的一组模型参数已合并到一个大型多组分热力学数据库中,用于预测相平衡,

更新日期:2021-01-12
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