Study on quantitative structure–activity relationship of quaternary ammonium salt collectors for bauxite reverse flotation
Study on quantitative structure–activity relationship of quaternary ammonium salt collectors for bauxite reverse flotation
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DOI：
10.1016/j.mineng.2011.10.007
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发表时间：
2012
影响因子：
4.8
通讯作者：
Yue-hua Hu;Pan Chen;Wei Sun
中科院分区：
文献类型：
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作者：
Yue-hua Hu;Pan Chen;Wei Sun
以一水硬铝石和高岭石为研究对象，采用20种季铵盐为捕收剂，通过微浮选试验研究了它们各自的浮选行为和浮选选择性，探讨了季铵盐的结构与选择性之间的关系，探讨了定量构效关系在浮选药剂开发中应用的可能性。通过对试剂的量化参数、拓扑参数和选择性指数的选择和计算，建立了具有鲁棒预测能力的模型。结果表明，分子形状、总能量和疏水性是影响捕收剂选择性的三个主要因素。分子链长与分子构型的匹配程度越好，药剂总能量越负，反浮选分离铝硅酸盐矿物的效率越高。
Microflotation tests were performed on such pure minerals as diaspore and kaolinite to detect their respective flotation behaviors and flotation selectivity, in which 20 quaternary ammonium salts were applied as collectors to explore the relationship between the structure and selectivity of quaternary ammonium salt so as to investigate the probability of application of QSAR in the development of flotation reagents. Based on the selection and calculation of quantization parameters, topological parameters and selectivity indices of the reagents, a model with robust predictive abilities was established. The results showed that the shape of molecule, total energy and hydrophobic property were the three major factors affecting the selectivity of collectors. The better matching degree of molecular chain length and molecular configuration and the more negative total energy of the reagent were, the more efficient the reverse flotation separation of aluminum-silicate minerals would be.