首页|钙离子对白云母与石英选择性分离影响的量子化学研究

钙离子对白云母与石英选择性分离影响的量子化学研究

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以白云母、石英矿物为代表,通过浮选试验及Zeta电位测试研究Ca2+在白云母、石英表面的吸附行为及对白云母、石英这2种矿物浮选分离行为的影响.采用密度泛函理论计算方法研究钙离子络合物在2种矿物表面不同位点的吸附亲和性,揭示钙离子络合物在这2种矿物表面的吸附机理.研究结果表明:白云母对Ca2+的吸附作用强于石英对Ca2+的吸附作用,加入4×10-5 mol/L Ca2+可以将白云母的回收率提升至91.38%,而将石英的回收率降低至1.21%;Ca2+以[Ca(H2O)4]2+络合物的形式通过与矿物表面的Os原子结合形成Ca—Os键和氢键,稳定吸附于白云母和石英表面;络合物中Ca原子对AlOSi位点中Os原子的吸附亲和性强于SiOH中Os原子的吸附亲和性,因而,[Ca(H2O)4]2+更倾向于吸附在白云母表面.
Quantum chemistry study of effect of calcium ions on selective separation of muscovite and quartz
Represented by muscovite and quartz,the adsorption behavior of Ca2+on the surface of muscovite and quartz and its effect on the flotation separation behavior of the two minerals were studied by flotation test and zeta potential test. The adsorption affinity of Ca2+complexes at different sites on the surface of two minerals was studied by density functional theory(DFT) calculation,and the adsorption mechanism of Ca2+complexes on the two minerals surfaces was revealed. The results show that the adsorption effect of muscovite on Ca2+is stronger than that of quartz,and the recovery of muscovite increases to 91.38%,while the recovery of quartz reduces to 1.21% with the addition of 4×10-5 mol/L Ca2+. Ca2+is stably adsorbed on the muscovite and quartz surface by forming Ca—Os bonds and hydrogen bonds with Os atoms on the surface of minerals in the form of[Ca(H2O)4]2+complex. The adsorption affinity of the Ca atom in the complex for the Os atom at the AlOSi site is stronger than that of the Os atom in the SiOH,so[Ca(H2O)4]2+is more inclined to adsorb on the muscovite surface.

Ca2+muscovitequartzadsorptiondensity functional theory calculation

刘艳、徐芮、孙伟、黄景华、王丽

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中南大学资源加工与生物工程学院,湖南长沙,410083

矿冶科技集团有限公司矿物加工科学与技术国家重点实验室,北京,102628

钙离子 白云母 石英 吸附 密度泛函理论计算

2024

中南大学学报(自然科学版)
中南大学

中南大学学报(自然科学版)

CSTPCD北大核心
影响因子:0.938
ISSN:1672-7207
年,卷(期):2024.55(11)
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