摘要
基于晶体紧密堆积理论和最大配位数模型给出了金属离子半约束态的数学描述,采用密度泛函理论定量研究了不同配位原子和配位数对铜、铅、锌和铁离子的电荷、亲电性、轨道活性等性质的影响.研究结果表明:金属离子的性质与其相邻的配位原子性质和配位数有关,配位数越多,金属离子活性越低,配体的性质影响金属离子反应活性,与硫离子配位的金属离子具有较强的共价性,与氧离子配位的金属离子具有更强的离子性.研究了黄药在铁的硫化矿物(黄铁矿)和氧化矿物(赤铁矿)表面的吸附行为及其对浮选的影响,结果证实了矿物表面金属离子的半约束性质是药剂与矿物表面发生作用的重要因素.
The mathematical descrption of metal ions in semi constrained state was proposed based on the maximum coordination number and the close packing principle. The density functional theory was used to investigate how the coordinated atoms with varying coordination number influenced the properties of central ions, such as charge, electrophilicity and orbital activity. The results show that the higher the coordination number of the metal ion, the lower its activity is. In addition, the ligand properties impact on the reactivity of central ions. Metal ions coordinated with sulfur ions are more covalent, and those coordinated with oxygen ions are more ionic. The flotation and adsorption behaviors of iron sulfide mineral(pyrite) and iron oxide mineral(hematite) with xanthate were studied. The results confirm that the semi-constrained state of surface metal ion is key to the interaction of reagents with mineral surfaces.
作者
陈建华
朱阳戈
CHEN Jianhua;ZHU Yangge(School of Resources,Environment and Materials,Guangxi University,Nanning,Guangxi 530004,China;State Key Laboratory of Mineral Processing Science and Technology,Beijing General Research Institute of Mining&Metallurgy,Beijing 102600,China)
出处
《中国矿业大学学报》
EI
CAS
CSCD
北大核心
2021年第6期1181-1188,共8页
Journal of China University of Mining & Technology
基金
国家自然科学基金面上项目(51874106)
国家自然科学基金联合基金重点项目(U20A20269)。
关键词
浮选
矿物表面
金属离子
半约束
药剂
吸附
flotation
mineral surface
metal ion
semi-constrained
reagents
adsorption
