FeO-SiO_(2)体系熔体的结构及输运性质  

Structure and transport properties of FeO-SiO_(2) melt

作　　者：姚明灿 李田玉 胡金 付芳忠 林嘉豪 范鹤林 王瑞祥[1,2] 徐志峰[1,2] YAO Mingcan;LI Tianyu;HU Jin;FU Fangzhong;LIN Jiahao;FAN Helin;WANG Ruixiang;XU Zhifeng(School of Metallurgical Engineering,Jiangxi University of Science and Technology,Ganzhou 341000,Jiangxi,China;Institute of Green Metallurgy and Process Intensification,Jiangxi University of Science and Technology,Ganzhou 341000,Jiangxi,China;Heilongjiang Zijin Copper Co.,Ltd.,Qiqihaer 161000 Heilongjiang,China)

机构地区：[1]江西理工大学冶金工程学院,江西赣州341000 [2]江西理工大学绿色冶金与过程强化研究所,江西赣州341000 [3]黑龙江紫金铜业有限公司,黑龙江齐齐哈尔161000

出　　处：《有色金属科学与工程》2025年第1期17-24,共8页Nonferrous Metals Science and Engineering

基　　金：国家自然科学基金资助项目(52004109,52364040);江西省自然科学基金资助项目(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)。

摘　　要：针对铜冶炼过程中铜的损失,采用分子动力学模拟方法研究FeO-SiO_(2)体系的结构及输运性质。结果表明:当FeO含量(指质量分数,下同)从50%增加到85%,Si-O的键长保持1.60A(1A=0.1 nm)不变,Fe-O的键长从2.08A降低到2.07A;O-Si-O的键角保持108.00°不变,而Si-O-Si键角从144.98°降低到140.00°;自由氧的比例从1.74%增加到42.64%,桥氧的比例从42.60%降低到1.84%。NBO/T从0.25增加到2.42,结构的聚合度随着FeO含量(指质量分数,下同)的升高而降低,黏度从0.74 Pa·s降低到0.02 Pa·s。[SiO_(4)]4-四面体是FeO-SiO_(2)体系的主要结构单元,[SiO_(4)]4-四面体之间通过共顶角连接。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-SiO_(2)system.The results show that when FeO mass fraction increases from 50% to 85%,the bond length of Si-O remains unchanged at 1.60A,and the bond length of Fe-O decreases from 2.08A to 2.07A.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[SiO_(4)]4-tetrahedra are the main structural units of the FeO-SiO_(2)system,and the[SiO_(4)]4-tetrahedra are connected by a common vertex angle.

关 键 词：铜渣 熔体结构 FeO-SiO_(2) 输运性质 分子动力学模拟 径向分布函数 自扩散系数 黏度 

分 类 号：TF811[冶金工程—有色金属冶金]