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首页> 外文期刊>Applied Surface Science >AFM and DFT study of depression of hematite in oleate-starch-hematite flotation system
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AFM and DFT study of depression of hematite in oleate-starch-hematite flotation system

机译：AFM和DFT研究油酸-淀粉-赤铁矿浮选系统中赤铁矿的凹陷

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摘要

The depression of hematite in the reverse flotation system of oleate-starch-hematite was investigated at the atomic level by atomic force microscopy (AFM) combined with density functional theory (DFT). AFM imaging and cross-sectional imaging show that the adsorption configurations of oleate and starch on hematite were in shuttle and flake patterns, respectively, resulting in a greater adsorption thickness and adsorption area for starch than for oleate on the hematite surface. After functioned by starch, hematite was almost fully covered by starch so that there was no sufficient space for the adsorption of oleate. Corn starch was also detected aggregating fine hematite particles just like a flocculant. In the DFT study of the system, convergence tests were conducted to get the optimized hematite crystal geometry. The calculated interaction energies and Mulliken populations verified the favorable adsorption of oleate and starch on the hematite surface. Results indicated that covalent bonds formed between oleate and hematite, as well as between starch and hematite. However, in the oleate-starch-hematite system, the calculations showed that the distance between oleate and hematite in the presence of starch was too long to allow the adsorption of oleate. As for the water effect on the depression of hematite, the water molecules acted as a bridge between starch and the hematite surface by hydrogen bonds and were accompanied by chemical bonds between hematite surfaces and starch, which led to the depression of hematite. Therefore, in reverse flotation, oleate is hindered from adsorbing on the starch-covered hematite surface. The work presented here has profound implications for future studies of the depression of hematite, and may help solve the problem of screening and design of depressant of hematite.
机译：通过原子力显微镜（AFM）结合密度泛函理论（DFT）在原子水平上研究了油酸-淀粉-赤铁矿反向浮选系统中赤铁矿的压降。 AFM成像和横截面成像显示，油酸盐和淀粉在赤铁矿上的吸附构型分别呈穿梭和片状分布，导致淀粉的吸附厚度和吸附面积比赤铁矿表面上的油酸酯更大。在淀粉作用下，赤铁矿几乎被淀粉完全覆盖，因此没有足够的空间吸附油酸盐。玉米淀粉也像絮凝剂一样聚集了细小的赤铁矿颗粒。在系统的DFT研究中，进行了收敛测试，以获得最佳的赤铁矿晶体几何形状。计算得出的相互作用能和Mulliken种群证明了油酸盐和淀粉在赤铁矿表面的良好吸附。结果表明，油酸酯和赤铁矿之间以及淀粉和赤铁矿之间形成了共价键。然而，在油酸盐-淀粉-赤铁矿体系中，计算表明在存在淀粉的情况下，油酸盐和赤铁矿之间的距离太长而不能吸附油酸盐。至于水对赤铁矿凹陷的影响，水分子通过氢键充当淀粉与赤铁矿表面之间的桥梁，并伴随着赤铁矿表面与淀粉之间的化学键，从而导致赤铁矿的凹陷。因此，在反向浮选中，阻碍了油酸盐吸附在被淀粉覆盖的赤铁矿表面上。这里介绍的工作对赤铁矿的抑郁症的未来研究具有深远的意义，并可能有助于解决赤铁矿的抑制剂的筛选和设计问题。

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