| 钙(镁)离子在菱锌矿表面吸附的量子化学研究 |
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| 引用本文： | 吴志强,陈晔,李宇浩,施显赵.钙(镁)离子在菱锌矿表面吸附的量子化学研究[J].矿产保护与利用,2022,42(1):21-27. |
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| 作者姓名： | 吴志强 陈晔 李宇浩 施显赵 |
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| 作者单位： | 广西大学 资源环境与材料学院, 广西 南宁 530004 |
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| 基金项目： | 国家自然科学基金NSFC51864003 |
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| 摘 要： | 与菱锌矿伴生的高可溶性碳酸盐类矿物方解石、白云石会导致矿浆中含有大量钙(镁)离子,从而影响菱锌矿的浮选.采用密度泛函理论对钙(镁)离子在菱锌矿(101)表面吸附进行模拟.计算结果表明,钙离子和镁离子会与清洁菱锌矿(101)表面发生较强的化学吸附,并且钙离子的吸附比镁离子更强.水化后的菱锌矿(101)表面也会与钙离子和镁...
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| 关 键 词： | 密度泛函理论 浮选 菱锌矿 钙(镁)离子 吸附 量子化学 |
| 收稿时间： | 2022-01-20 |
Quantum Chemical Study of Adsorption of Calcium (Magnesium) Ions on Smithsonite Surface |
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| Affiliation: | School of Resources Environment and Materials, Guangxi University, Nanning 530004, China |
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| Abstract: | The high soluble carbonate minerals calcite and dolomite associated with the smithsonite will lead to amounts of calcium (magnesium) ions in the pulp, which will affect the flotation of smithsonite. In this work, Density Functional Theory calculations are conducted to investigate the adsorption of calcium (magnesium) ions on smithsonite (101) surface. The calculation results indicate that calcium ions and magnesium ions have strong chemisorption with the surface of clean smithsonite (101), and the adsorption of calcium ions is stronger than magnesium ions. The hydrated smithsonite (101) surface also adsorbed calcium and magnesium ions, but the adsorption intensity was obviously weakened. In addition, the adsorption of calcium ions on hydrated smithsonite surface (101) weakens the hydration of smithsonite (101). The results can provide theoretical guidance for eliminating the influence of unavoidable ions in the flotation process of smithsonite. |
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