基于封闭平衡体系Gibbs自由能最小原理对精炼Si液中杂质Ca的炉渣-金属体系建立热力学模型,由该热力学模型得到Si液中Ca的摩尔分数xCa与CaO-SiO2二元渣系CaO的摩尔分数xCao的关系和文献报道的实验结果吻合良好,即0.3 ＜xCao＜0.4较有利于Si液脱Ca.热力学模型计算结果表明:Si液中Si和Ca的活度分别与SiO2和CaO质量作用浓度的比值符合炉渣-金属组元活度之间的关系式,且计算结果比文献报道的数据精度更高.因此,基于炉渣离子-分子共存理论的质量作用浓度可与经典的炉渣活度一样表征CaO-SiO2二元渣系组元的反应能力.由建立的热力学模型计算结果确定的反应[Ca]+0.5(SiO2)=(CaO)+0.5 [Si]的标准摩尔反应Gibbs自由能变化表达式为△rG(θ)m,CaO=-89 532.7-21.8T(J/mol).
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