热力学模拟计算软件FactSage及其应用

Thermodynamic Modeling Software FactSage and Its Application

介绍了当今最具代表性的Thermo-Calc和FactSage热力学计算软件。将FactSage应用于金川镍闪速熔炼过程的复杂多元多相平衡计算,表明金川镍闪速熔炼炉渣中铜含量的理论计算值（0.043%～0.060%）远小于实际值（0.28%～0.30%）,进一步降低渣中含铜量热力学上是可能的;利用FactSage计算了一系列不同成分的Fe-B合金在实际应用条件下的相组成和相含量及其变化规律,综合考虑各合金的工艺性能、力学性能和耐锌液腐蚀性能,用优选方案制备的成分为7.01%B,5.05%B和3.31%B,相组成为α-Fe＋Fe2B的Fe-B二元合金可较好地满足抗液锌腐蚀结构材料的综合性能要求。

The thermodynamic softwares Uhermo-Calc and FactSage were briefly introduced. Thermodynamic modeling nickel flash smelting process of Jinchun by FactSage indicated that the theoretically calculated value of Cu content in the slag （0.043%～0.060%） was much lower than the content （0.28%～0.30%） in the practical case. From thermodynamic point of view, the further decreasing Cu content in the flash smelting slag should be possible. Under given conditions composition and content of phases and their developing features were calculated by FactSage for a series of Fe-B alloys with different compositions. Considering the processing, mechanical and liquid Zn-corrosion resistance properties of the alloys, the Fe-7.01%B, Fe-5.05%B and Fe-3.31%B alloys, which contain the α-Fe and Fe2B phases, could well fulfill the comprehensive requirements as a liquid Zn-corrosion resistance material.