Basic Properties of KCl-MgCl₂ Refining Flux Used for Aluminum Melt Purification and Its Wetting Behavior on Oxide Inclusion: Molecular Dynamics Simulations

本文针对铝合金熔体净化介质在高温下液态结构及其对夹渣行为难以通过实验表征的难题，采用分子动力学模拟，研究了KCl-MgCl2基精炼介质在高温下的基本性质，以及不同组分构成的KCl-MgCl2精炼介质在Al-Si合金中Al2O3夹渣表面的润湿行为，结果表明与等摩尔KCl-MgCl2精炼介质相比，共晶KCl-MgCl2精炼介质具有更好的界面润湿效果。研究结果对高性能铝合金熔体净化介质开发具有重要指导意义。The liquid structure of aluminum alloy melt purification medium and its behavior for slag inclusion at high temperature are difficult to characterize by experiments. Therefore, molecular dynamics simulations were used to study the basic properties of KCl-MgCl2 refining agent at high temperature, as well as the wetting behavior of KCl-MgCl2 refining agent composed of different components on the surface of Al2O3 surface inclusion in Al-Si alloy. The results show that the eutectic KCl-MgCl2 refining agent has better wetting properties between the refiner and the inclusions, compared with the equimolar KCl-MgCl2 refining agent. The research results have an important guiding significance for the development of high-performance aluminum alloy melt purification media.