|
| 含银方铅矿表面性质及捕收机理模拟计算研究 |
| Simulation study on surface properties and collecting mechanism of silver-bearing galena |
| Received:August 09, 2021 |
| DOI： |
| 中文关键词: 有色金属冶金 方铅矿 银 浮选 计算机模拟 密度泛函理论 |
| 英文关键词: non-ferrous metallurgy galena silver flotation computer simulation density functional theory |
| 基金项目:辽宁省高等学校创新团队项目(LT2018010):低品位难选微细颗粒矿物资源高效分选先进技术与基础理论 |
| Author Name | Affiliation | E-mail | | WANG Yue | School of Mining Engineering, University of Science and Technology Liaoning, Anshan 114001, Liaoning, China | 1821004308@qq.com | | SONG Bao-xu | School of Mining Engineering, University of Science and Technology Liaoning, Anshan 114001, Liaoning, China | | | ZHU Ya | School of Mining Engineering, University of Science and Technology Liaoning, Anshan 114001, Liaoning, China | |
|
| Hits: 761 |
| Download times: 544 |
| 中文摘要: |
| 采用丁铵黑药、乙基黄药和乙硫氮3种硫化矿捕收剂对含银方铅矿进行浮选试验，基于密度泛函理论对浮选机理进行了模拟计算研究。浮选试验表明，与高碱性矿浆相比，含银方铅矿更适宜在pH为9.5的弱碱性矿浆中浮选；丁铵黑药表现出对含银方铅矿更强的选择性和捕收性。捕收机理研究结果表明，与理想方铅矿相比，含银方铅矿的带隙更窄，此外费米能级附近也新增了银原子的4d轨道，表明含银方铅矿具有更强的电化学反应活性。根据前线轨道理论，当采用丁铵黑药和乙基黄药做捕收剂时，含银方铅矿的前线轨道有效质量更低，表明含银方铅矿更易与这2种捕收剂发生吸附；随着银含量的增加，吸附过程的前线轨道有效质量呈明显下降趋势，也表明银原子会增强捕收剂与矿物表面的吸附过程。分子动力学模拟计算结果表明，丁铵黑药在含银方铅矿表面的吸附能最低，表明丁铵黑药对含银方铅矿选择性最好。 |
| 英文摘要: |
| The flotation experiments of Ag-bearing galena were carried out using three sulphides as ore collectors, ammonium dibutyl dithiophosphate (ADD), ethyl xanthate (EX) and diethyldithiocarbamate (DDC), and the flotation mechanism was simulated based on the density functional theory. Flotation experiments show that Ag-bearing galena is more suitable for flotation in weak alkaline pulp with pH 9.5 compared with strong alkaline pulp, and that ammonium dibutyl dithiophosphate has better selectivity and collecion for Ag-bearing galena. The harvesting mechanism results show that the band gap of Ag-bearing galena is narrower than that of ideal galena, and that the 4d orbitals of Ag atoms are added near the Fermi energy level. It implies that Ag-bearing galena has stronger electrochemical reaction activity. According to the frontline orbital theory, when ammonium dibutyl dithiophosphate and ethyl xanthate are used as collectors, the frontier orbital effective mass of Ag-bearing galena is lower, indicating that Ag-bearing galena is easier to adsorb with these two collectors. With the increase of silver content, the effective mass of frontier orbitals in the adsorption process decreases significantly, which also indicates that silver atoms can enhance the adsorption process between collectors and mineral surfaces. The molecular dynamics simulation results show that the adsorption energy of ammonium dibutyl dithiophosphate on the surface of Ag-bearing galena is the lowest, indicating that ammonium dibutyl dithiophosphate has the best selectivity to Ag-bearing galena. |
|
View Full Text
View/Add Comment Download reader |
| Close |
|
|
|