摘要
为了研究MgO对CaO-Al2O3-B2O3-MgO四元渣系微结构的影响规律,通过Scigress分子动力学软件构建了CaO-Al2O3-B2O3-MgO基四元渣系的熔渣网络结构模型。研究表明,熔渣中出现了高配位的铝和三配位氧来补偿[AlO4]5-四面体负电荷过剩;硼作为网络形成体与氧的结合能力最强,其配位结构是以三配位的三角体和四配位的四面体存在;MgO作为网络修饰子起到补偿电荷及解聚网络的作用。随着MgO质量分数的增加,增强了Al-O网络结构的稳定性,但熔体的聚合度和网络结构的复杂程度呈下降趋势。
In order to study the influence of MgO on the microstructure of CaO-Al2O3-B2O3-MgO quaternary slag system,the slag network structure model of CaO-Al2O3-B2O3-MgO-based quaternary slag system was constructed by Scigress molecular dynamics software.The results demonstrated that high-coordinated Al and tri-coordinate oxygen appear in the molten slag to compensate for[AlO4]5-tetrahedral negative charge excess;Boron as the network forming body has the strongest binding ability with O,and its coordination structure exists as Tri-coordinated trigonal and tetra-coordinated tetrahedrons;MgO acts as a network modifiers to compensate for charge and depolymerization networks.With the increasing of MgO content,the stability of the Al-O network structure enhanced,while the degree of polymerization of the melt and the complexity of the network structure decreased.
作者
刘克
韩毅华
杨帆
朱立光
LIU Ke;HAN Yi-hua;YANG Fan;ZHU Li-guang(College of Metallurgy and Energy,North China University of Science and Technology,Tangshan 063210,Hebei,China;Hebei Engineering Research Center of High Quality Steel Continuous Casting,Tangshan 063000,Hebei,China;School of Materials Science and Engineering,Hebei University of Science and Technology,Shijiazhuang 050018,Hebei,China)
出处
《钢铁》
CAS
CSCD
北大核心
2020年第5期52-58,共7页
Iron and Steel
基金
国家自然科学基金资助项目(51974132,51604119,51774141)。
