彩票大全软件

The hydration characteristic of quartz surface is the key of quartz deep flotation purification. In this study, molecular dynamics (MD) simulation and experimental methods were used to study the effect of lattice Fe3+ impurities on quartz surface hydration properties. Quartz samples with different lattice Fe3+ content were obtained by roasting H2SO4-HCl-HF mixed acid with NH4Cl. The changes in the lattice Fe3+ content of the prepared quartz samples were characterized and validated using scanning electron microscopy (SEM), energy-dispersive spectroscopy (EDS), and X-ray photoelectron spectroscopy (XPS). The accuracy of the hydration simulation calculations was validated using contact angle measurements and wettability test results. The results indicate that as Fe3+ doping increases, Na+ ions diffuse into the water layer during adsorption on the Fe3+-doped quartz (001) surface and form hydrated complexes with H2O molecules, reaching an equilibrium state. As the doping concentration increases, the interaction between water molecules and the Fe3+-doped α-quartz (001) surface strengthens, accompanied by an increase in interfacial hydrogen bonds. In the contact angle simulation, the contact angle of the undoped quartz surface is about 4° higher than that of the Fe3+ doped surface. When the Fe3+ content in the quartz sample increased from 39.4?ppm to 80?ppm, the contact angle decreased by about 3.2°, consistent with the simulated trend. Wettability tests show that with increasing levels of Fe3+ there is a further increase in surface hydrophilicity in the order: NH4Cl(0?%)-Q-H+<NH4Cl(1?%)-Q-H+<NH4Cl(5?%)-Q-H+. It can be concluded that higher Fe3+ impurity levels in the quartz lattice significantly enhance the surface hydration characteristics. These results provide a theoretical basis for the selective separation and deep purification of quartz minerals.

中文翻译：

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晶格缺陷-Fe3+对石英表面润湿性影响的实验与模拟研究


石英表面的水化特性是石英深浮选净化的关键。本研究采用分子动力彩票大全软件 （MD） 模拟和实验方法研究了晶格 Fe3+ 杂质对石英表面水化特性的影响。通过将 H2SO4-HCl-HF 混酸与 NH4Cl 焙烧得到不同晶格 Fe3+ 含量的石英样品。使用扫描电子显微镜 （SEM） 、能量色散光谱 （EDS） 和 X 射线光电子能谱 （XPS） 对制备的石英样品晶格 Fe3+ 含量的变化进行了表征和验证。使用接触角测量和润湿性测试结果验证了水合模拟计算的准确性。结果表明，随着 Fe3+ 掺杂的增加，Na+ 离子在吸附到 Fe3+ 掺杂石英 （001） 表面时扩散到水层中，并与 H2O 分子形成水合络合物，达到平衡状态。随着掺杂浓度的增加，水分子与 Fe3+ 掺杂的α石英 （001） 表面之间的相互作用增强，伴随着界面氢键的增加。在接触角模拟中，未掺杂石英表面的接触角比 Fe3+ 掺杂表面的接触角高约 4°。当石英样品中的 Fe3+ 含量从 39.4 ppm 增加到 80 ppm 时，接触角减小了约 3.2°，与模拟趋势一致。润湿性测试表明，随着 Fe3+ 水平的增加，表面亲水性进一步增加，顺序为：NH4Cl（0 %）-Q-H+<NH4Cl（1 %）-Q-H+<NH4Cl（5 %）-Q-H+。可以得出结论，石英晶格中较高的 Fe3+ 杂质水平显着增强了表面水合特性。 这些结果为石英矿物的选择性分离和深度纯化提供了理论依据。