School of Chemical Engineering, University of Science and Technology Liaoning, Anshan, 114051, China.
School of Resources and Civil Engineering, Northeastern University, Shenyang, 110819, China.
Sci Rep. 2022 Sep 2;12(1):14990. doi: 10.1038/s41598-022-19377-0.
Dodecylamine is one of the most commonly used amine collectors for the reverse flotation of magnesite ore. Through a combination of experimental research and computational simulation, the effect of n-octanol on the removal of impurities by the reverse flotation of magnesite ore was studied. The test results show that when the dosage of dodecylamine was 60 mg/L, the flotation rates of magnesite and dolomite were 59.53% and 58.02%, respectively, and the flotation rate of quartz was 97.60%. In the presence of n-octanol, the flotation rate of magnesite decreased to 56.41%, and the flotation rates of dolomite and quartz increased to 61.30% and 99.59%, respectively. The test results show that the addition of n-octanol can improve the selectivity of minerals under the same amount of collector. The adsorption of dodecylamine (dodecylamine and n-octanol) on the surface of magnesite, dolomite and quartz was simulated using quantum chemical calculations based on density functional theory (DFT) and implemented in the CASTEP module of Materials Studio. The results show that dodecylamine can adsorb to magnesite, dolomite and quartz, and the adsorption effect was strongest on quartz. After adding n-octanol, the population value of the bond between the agent and magnesite decreased from 0.19 to 0.17, indicating that the adsorption effect of the agent on magnesite was weakened. The population value of the bond between the drug and dolomite increased from 0.19 to 0.23, indicating that the adsorption effect of the drug on dolomite was enhanced. H28, H29, and H2 in the drug form bonds with O12, O20, and O20 on the surface of quartz (101), respectively, and the population values were 0.43, 0.25, and 0.09, respectively. The adsorption sites of the drug and the quartz were increased, and the adsorption effect of the quartz was markedly improved. The test and simulation results show that the dosage of the agent can be reduced in the presence of n-octanol. N-octanol is not only beneficial to the removal of silicon by amine reverse flotation but also has a certain beneficial effect on the removal of calcium by reverse flotation.
十二胺是最常用的胺类捕收剂之一，用于菱镁矿的反浮选。通过实验研究和计算模拟相结合的方法，研究了正辛醇对菱镁矿反浮选除杂的影响。试验结果表明，当十二胺用量为 60mg/L 时，菱镁矿和白云石的浮选回收率分别为 59.53%和 58.02%，石英的浮选回收率为 97.60%。在正辛醇存在的情况下，菱镁矿的浮选回收率降低至 56.41%，而白云石和石英的浮选回收率分别提高至 61.30%和 99.59%。试验结果表明，在相同捕收剂用量下，添加正辛醇可以提高矿物的选择性。基于密度泛函理论（DFT），利用量子化学计算模拟了十二胺（十二胺和正辛醇）在菱镁矿、白云石和石英表面的吸附，在 Materials Studio 的 CASTEP 模块中进行了模拟。结果表明，十二胺可以吸附在菱镁矿、白云石和石英表面，对石英的吸附效果最强。添加正辛醇后，药剂与菱镁矿键的键合人口值从 0.19 降低到 0.17，表明药剂对菱镁矿的吸附效果减弱。药剂与白云石键的键合人口值从 0.19 增加到 0.23，表明药剂对白云石的吸附效果增强。药剂中的 H28、H29 和 H2 分别与石英（101）表面的 O12、O20 和 O20 形成键，键合人口值分别为 0.43、0.25 和 0.09。药剂和石英的吸附位置增加，石英的吸附效果明显提高。试验和模拟结果表明，在正辛醇存在的情况下，可以减少药剂的用量。正辛醇不仅有利于胺反浮选脱硅，而且对反浮选脱钙也有一定的有益作用。
