有色金属科学与工程2025，Vol.16Issue(1)：17-24,8.DOI:10.13264/j.cnki.ysjskx.2025.01.003
FeO-SiO2体系熔体的结构及输运性质
Structure and transport properties of FeO-SiO2 melt
摘要
Abstract
In view of the loss of copper in the process of copper smelting,molecular dynamics simulations were used to study the structure and transport properties of the FeO-SiO2 system.The results show that when FeO mass fraction increases from 50%to 85%,the bond length of Si-O remains unchanged at 1.60 Å,and the bond length of Fe-O decreases from 2.08 Å to 2.07 Å.The O-Si-O bond angle remains unchanged at 108.00°,while the Si-O-Si bond angle decreases from 144.98° to 140.00°.The proportion of free oxygen increases from 1.74%to 42.64%,and the proportion of bridge oxygen decreases from 42.60%to 1.84%.The degree of polymerization of the structure decreases with the increase in FeO content,and the NBO/T decreases from 2.42 to 0.25.The viscosity decreases from 0.74 Pa·s to 0.02 Pa·s.The[SiO4]4-tetrahedra are the main structural units of the FeO-SiO2 system,and the[SiO4]4-tetrahedra are connected by a common vertex angle.关键词
铜渣/熔体结构/FeO-SiO2/输运性质/分子动力学模拟/径向分布函数/自扩散系数/黏度Key words
copper slag/melt structure/FeO-SiO2/transport properties/molecular dynamics simulations/radial distribution function/self-diffusion coefficient/viscosity分类
冶金工业引用本文复制引用
姚明灿,李田玉,胡金,付芳忠,林嘉豪,范鹤林,王瑞祥,徐志峰..FeO-SiO2体系熔体的结构及输运性质[J].有色金属科学与工程,2025,16(1):17-24,8.基金项目
国家自然科学基金资助项目(52004109,52364040) （52004109,52364040）
江西省自然科学基金资助项目(20232BAB214037) （20232BAB214037）
江西理工大学校级大学生创新创业训练计划资助项目(DC2021-011,DC2022-001) （DC2021-011,DC2022-001）
