摘要
通过分子动力学方法对非反应性保护渣CaO-Al_(2)O_(3)-B_(2)O_(3)三元渣系进行了模拟,构建了熔渣的网络结构模型,研究了渣系中B_(2)O_(3)的含量对保护渣熔渣微观结构的影响规律。结果表明:B在网络中与O的结合能力最强,且能够起到简化网络和平衡过剩电荷的作用;Al在熔体中主要以4配位形式存在,同时存在少量高配位Al-O结构,B_(2)O_(3)的含量为5%时,熔渣中[AlO_(4)]含量最高;随着B_(2)O_(3)含量的增多,熔渣网络结构聚合程度降低,复杂Al-O结构减少,熔渣微结构的有序性增加。
The nonreactive mold fluxes CaO-Al_(2)O_(3)-B_(2)O_(3) ternary slag system was simulated by molecular dynamics method,and the network structure model was constructed.The effect of B_(2)O_(3) content on the microstructure of slag was studied.The results show that Boron has the strongest binding ability with oxygen in the network,and can simplify the network and balance excess charges.Aluminum mainly exists in the form of tetra-coordination in the melt,and also exists Al-O structure of high-coordination.When the content of B_(2)O_(3) is 5%,the content of[AlO_(4)]in the slag is the highest.As the content of B_(2)O_(3) increases,the degree of polymerization of the slag network structure and the complex Al-O structure decrease,and the orderliness of the microstructure of the slag is increased.
作者
马博文
刘克
徐秉声
赵宏欣
袁章福
Ma Bowen;Liu Ke;Xu Bingsheng;Zhao Hongxin;Yuan Zhangfu(University of Science and Technology Beijing;Research Branch of Resource and Environment,China National Institute of Standardization;National Engineering Research Center of Green Recycling for Strategic Metal Resources,Institute of Process Engineering,Chinese Academy of Sciences)
出处
《冶金能源》
北大核心
2024年第3期27-32,共6页
Energy For Metallurgical Industry
基金
国家重点研发计划项目(2018YFC1900500)
中国标准化研究院院长基金(542022Y-9371)。
