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首页> 外文期刊>ISIJ international >Thermodynamic Modeling of Fe–C–S Ternary System
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Thermodynamic Modeling of Fe–C–S Ternary System

机译：Fe–C–S三元体系的热力学建模

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A CALPHAD type thermodynamic modeling of the Fe–C–S system was carried out, in particular, in order to provide accurate description of activity-composition relationship of Fe–C–S liquid phase. The liquid may be used as a solvent of ferrous scrap recycling. All available and reliable experimental data including phase equilibria and activity of S in the liquid Fe–C–S were analyzed, and a self-consistent set of Gibbs energy equations for the stable phases were obtained. In addition to the Gibbs energy equations, interaction parameters between S and C in the liquid were additionally estimated as functions of temperature:which were derived from the optimized Gibbs energy of the liquid phase using the Modified Quasichemical Model in the pair approximation. Moreover, the present thermodynamic modeling can be used to calculate various phase diagrams in the Fe–C–S system, and can be further extended in order to develop a multicomponent thermodynamic database.
机译：特别是对Fe–C–S系统进行了CALPHAD型热力学建模，以便准确描述Fe–C–S液相的活度-组成关系。该液体可用作废铁回收的溶剂。分析了所有可用且可靠的实验数据，包括液相Fe–C–S中的相平衡和S的活性，并获得了稳定相的一整套Gibbs能量方程组。除了吉布斯能量方程式外，还估算了液体中S和C之间的相互作用参数作为温度的函数：使用修正的拟化学模型以对近似法从液相的最佳吉布斯能量推导得出。此外，当前的热力学模型可用于计算Fe–C–S系统中的各种相图，并且可以进一步扩展以开发多组分热力学数据库。

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