Abstract A dissolution numerical model was proposed in this study to capture the real dissolution kinetics of slag in alkaline solution. It consists of three modules, i.e. (i) simulation of the initial particle parking structure of slag in alkaline solution using real-shape particles of slag, (ii) simulation of the chemical reactions between slag and solution based on the transition state theory, and (iii) simulation of the physical transport of aqueous ions using the lattice Boltzmann method. This dissolution numerical model was verified using experimental results, showing reasonable accuracy. After verification, the dissolution numerical model was implemented to study the influences of temperature and particle shape using a proper recipe of slag in alkaline solution. This recipe was designed to avoid solid phase precipitation or gel formation via thermodynamic analysis. The simulation results showed faster dissolution kinetics of slag when using higher temperatures and more irregular particle shapes.

中文翻译：

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使用实形颗粒对碱性溶液中渣溶解的格子 Boltzmann 模拟

摘要 本研究提出了一种溶解数值模型来捕捉炉渣在碱性溶液中的真实溶解动力学。它由三个模块组成，即（i）使用渣的真实形状颗粒模拟渣在碱性溶液中的初始颗粒停放结构，（ii）基于过渡态理论模拟渣与溶液之间的化学反应，以及(iii) 使用晶格玻尔兹曼方法模拟水离子的物理传输。使用实验结果验证了该溶解数值模型，显示出合理的准确性。经验证，采用溶出度数值模型，在碱性溶液中采用合适的炉渣配方研究温度和颗粒形状的影响。该配方旨在通过热力学分析避免固相沉淀或凝胶形成。模拟结果表明，当使用更高的温度和更不规则的颗粒形状时，炉渣的溶解动力学更快。