复杂钨锡矿金属-有机配合物捕收剂的配位组装及构-效关系基础研究

传统氧化矿阴离子捕收剂主要以含N、P、O有机酸为主要作用基团，其选择性很难有质的提高，复杂钨锡资源的高效综合利用面临巨大的挑战。最新研究发现金属离子与浮选捕收剂在液相中形成的金属-有机配合物以金属基为主要作用基团，在捕收能力和选择性方面体现出一定优势，为新型浮选捕收剂的设计与开发提供了新的思路。本项目以白钨矿、黑钨矿和锡石为研究对象，采用量子化学计算、分子动力学模拟和实验研究相结合的方法，研究羟肟酸捕收剂和Pb2+在水溶液体系中的组分状态和配位组装行为，开发金属-有机配合物的配位调控组装方法；研究金属-有机配合物捕收剂在白钨矿和锡石表面的微观吸附行为，明确其在固/液界面的吸附作用机理；研究金属-有机配合物捕收剂的配位数、分子结构和空间构型等对矿物表面润湿性和浮选行为的影响，建立金属-有机配合物捕收剂结构与捕收能力的“构-效关系”，为复杂钨锡矿浮选捕收剂和新技术的开发提供理论基础和技术支撑。

The conventional anionic collectors, characterized by the functional group containing N, O, or P, showed poor selectivity on flotation of oxide minerals, which is difficult to improve. And it’s a great challenge for the comprehensive utilization of completed tungsten and cassiterite minerals. The latest findings have proved that the metal-collector complexes in the aqueous solution play an important role in flotation and show a good selectivity in collecting ability due to the metal group being the functional group. The novel insights provide some new ideas for the designing of new flotation collectors. This project will focus on the molecular assembly of hydroxamate and lead ions and the adsorption mechanism on the solid-liquid interface. Theoretical approaches including coordination chemistry, solution chemistry, interfacial chemistry, crystal chemistry, physical chemistry, colloid chemistry, quantum chemistry and molecular dynamics will be employed to study the the assembling behavior of hydroxamate and lead ions. Microscopic adsorption behavior of metal-collector complexes on the surface of different minerals, including scheelite, csssiterite, and rutile, will be studied in detail to develop the adsorption mechanism. The effect of coordination number, molecular structure, and spatial configuration on the surface wettability and flotation behavior of minerals will be systematically studied. And a model of quantitative structure-activity relationship (QSAR) will be developed on the collecting ability and molecular structures of the metal-collector complexes. A new theoretical system of molecular assembly using metal ions and their relevant innovative technologies will be formed, which may provide theoretical bases and technical supports for developing new flotation technologies on oxide minerals.