基于分子-离子共存理论的CaO-MgO-Al₂O₃-SiO₂四元渣系黏度预测
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1.辽宁科技大学 材料与冶金学院,辽宁 鞍山 114051 ;2.辽宁省绿色低碳与智能冶金重点实验室,辽宁 鞍山 114051

作者简介:

彭程(2000—),男,硕士研究生,湖北麻城人,研究方向为低碳与智能冶金创新技术

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中图分类号:

TF02

基金项目:

国家自然科学基金(52474359;52104331)


Viscosity prediction of CaO-MgO-Al₂O₃-SiO₂ quaternary slag system based on the molecular–ionic coexistence theory
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Affiliation:

1. School of Materials and Metallurgy, University of Science and Technology Liaoning, Anshan 114051 , China ;2. Key Laboratory of Green Low-Carbon and Intelligent Metallurgy, Anshan 114051 , China

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    摘要:

    黏度是冶金过程中影响渣金间传质与传热效率的关键参数。本研究针对CaO-MgO-Al2O3-SiO2四元基础渣系,基于离子-分子共存理论,通过Matlab编程计算结构单元的平衡活度,继而采用Arrhenius方程进行回归分析建立黏度模型,并在不同熔渣成分范围内进行了实验验证。发现预测模型的黏度计算结果高度接近实验检测,其中黏流活化能的差值分别为0.08、0.61、0.10和0.28 kJ/mol。熔渣体系可形成简单离子Ca2+、Mg2+、O2-和[SixOy]z-和[AlOm]n-聚合结构,且随着Ca2+、Mg2+离子增加,导致复杂聚合结构简化,即分子结构向离子结构演变,降温条件下通过检测可确定主要渣相为2CaO·SiO2,MgO·Al2O3,CaO·Al2O3·SiO2和CaO·MgO·SiO2。本研究为实际生产中CaO-MgO-Al2O3-SiO2渣系提供了黏度评估的快速方法,揭示了熔渣成分变化对结构-性能的影响。

    Abstract:

    Viscosity is a crucial physicochemical parameter that regulates mass and heat transfer kinetics at the slag-metal interface in pyrometallurgical reactors. In this study, a quaternary CaO-MgO-Al2O3-SiO2 reference slag system was examined within the framework of the Ion-Molecule Coexistence Theory. Using MATLAB based algorithms, the equilibrium activities of all likely structural entities were carefully calculated; then, an Arrhenius-type regression was applied to develop a semi-empirical viscosity model. Experimental validation over different compositional ranges showed that the predicted viscosities closely matched the measured data, with deviations in activation energy for viscous flow limited to 0.08, 0.61, 0.10, and 0.28 kJ·mol-1, respectively. Spectroscopic and phase-equilibrium analyses confirm that the melt consists of simple ionic species (Ca2+, Mg2+, O2-) coexisting with [SixOy]z- and [AlOm]n- polymeric units. Increasing concentrations of Ca2+ and Mg2+ ions have a network-modifying effect, depolymerizing the aluminosilicate structure and causing a structural shift from molecular to ionic dominance. During controlled cooling, the primary solid phases identified were 2CaO·SiO2, MgO·Al2O3, CaO·Al2O3·SiO2, and CaO·MgO·SiO2. This model provides the metallurgical community with a fast, composition-dependent viscosity predictor for CaO-MgO-Al2O3-SiO2 slags and explains the direct link between melt speciation and overall transport properties.

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彭程,黄育飞,冯浩明,等. 基于分子-离子共存理论的CaO-MgO-Al2O3-SiO2四元渣系黏度预测[J]. 中国有色冶金, 2026,55(3):152-162.

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  • 收稿日期:2025-11-06
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  • 在线发布日期: 2026-07-08
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