期刊
MINERALS ENGINEERING
卷 49, 期 -, 页码 54-60出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.mineng.2013.04.025
关键词
Cyclohexyl hydroxamic acid; Scheelite; DFT; Flotation mechanism
资金
- Major State Basic Research Development Program of China (973 Program) [2010CB735500]
- National High Technology Research and Development Program of China (863 Program) [2013AA064102]
- Foundation for the Author of National Excellent Doctoral Dissertation of China [2007852]
- Program for New Century Excellent Talents in Chinese University [NCEP-08-0568]
- High Performance Computing Center of CSU, China
In this paper, cyclohexyl hydroxamic acid (CHA) was investigated as a new collector for scheelite flotation by the Density Functional Theory (DFT) calculation, mineral flotation tests, adsorption measurement and zeta potential determination. The DFT computation results indicated that the dianion of CHA or benzoylhydroxamic acid (BHA) exhibited stronger chemical reactivity than their anions and neutral molecules, and that the replacement of phenyl group by cyclohexyl group in BHA molecule significantly impacted the electron donating ability of hydroxamate collectors. In alkaline aqueous solutions, the two oxygen atoms in the dianions of CHA or BHA charged more negative charges than other atoms, and hence became their reactive center. The dianion of CHA exhibited higher atomic charge value, HOMO (Highest Occupied Molecular Orbital) energy, bigger dipole moment and binding energy with Ca2+, thus it had stronger collecting ability for scheelite than that of BHA. In addition, the results of flotation tests, adsorption measurement and zeta potential determination validated that the collecting capability of CHA was stronger than that of BHA, which achieved excellent agreement with computational analysis. (C) 2013 Elsevier Ltd. All rights reserved.
作者
我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。
推荐
暂无数据