Li Lixia, Zhang Chen, Yuan Zhitao, Liu Zhichao, Li Chunfeng
School of Resources and Civil Engineering, Northeastern University, Shenyang, China.
Beijing Research Institute of Chemical Engineering and Metallurgy, CNNC, Beijing, China.
Front Chem. 2019 Dec 24;7:886. doi: 10.3389/fchem.2019.00886. eCollection 2019.
The decreased ground size of ilmenite-bearing ores challenges the selectivity of collectors of ilmenite. Taking advantage of flotation tests and density functional theory (DFT), the selectivity of benzyl hydroxamic acid (BHA) and the adsorption mechanism of oleate and BHA on ilmenite were systematically investigated. The flotation tests showed that BHA had good selectivity to ilmenite. In the DFT study, the favorable adsorption of BHA and oleate on the ilmenite surface were verified by the Mulliken population and the calculated interaction energies. Results indicated that the covalent bonds caused the adsorption of oleate on the ilmenite surface. The strong selectivity of BHA was due to abundant adsorption sites and solid adsorption of five-membered rings. The present investigation has important implications for further studies of BHA and will be helpful for screening and designing collectors for ilmenite flotation.
含钛铁矿矿石粒度减小对钛铁矿捕收剂的选择性提出了挑战。利用浮选试验和密度泛函理论（DFT），系统研究了苄基羟肟酸（BHA）的选择性以及油酸和BHA在钛铁矿上的吸附机理。浮选试验表明，BHA对钛铁矿具有良好的选择性。在DFT研究中，通过Mulliken布居和计算得到的相互作用能验证了BHA和油酸在钛铁矿表面的有利吸附。结果表明，共价键导致油酸在钛铁矿表面的吸附。BHA的强选择性归因于丰富的吸附位点和五元环的牢固吸附。本研究对BHA的进一步研究具有重要意义，有助于筛选和设计钛铁矿浮选捕收剂。
