新型水溶性阳离子捕收剂的合成及构效关系研究

Such disadvantages as poor water-solubility, bad selectivity and viscous foam are widely existed in the application of cationic collectors. So new water-soluble cationic collectors are designed and synthesized by adding second polar group to traditional cationic collectors based on quantum chemical molecular orbital calculation and molecular structure design theory of flotation reagents. And flotation performance is investigated by reverse flotation of iron ores. Based on analysis of crystal structure and surface property of minerals, adsorption mechanism between minerals and the new collectors from macroscopic view is examined by infrared spectroscopic analysis and zeta potential measurements; while microcosmic action mechanism between minerals and collectors is calculated and analyzed by AFM analysis, XPS measurements and quantum chemistry calculation. By doing this, interaction model is constructed with the aid of computer simulation techniques. With successfully implement of this project, new cationic collectors can be synthesized, molecular structure design theory of cationic collector and reagent action mechanism of cationic flotation system may be deepened, and cationic reverse flotation process can be optimized.

针对阳离子捕收剂应用过程中存在的溶解性差、泡沫发粘、选择性差等缺点，在常规阳离子捕收剂分子结构基础上引入第二极性基，以提高其水溶性和浮选性能；结合量子化学分子轨道计算和浮选药剂分子结构设计理论设计新型的阳离子捕收剂，并对其进行合成研究；借助于赤铁矿反浮选脱硅体系，对新型捕收剂的浮选性能进行考察和分析；在对矿物的晶体结构及表面性质进行分析的基础上，运用红外光谱分析和动电位测试技术考察捕收剂在矿物表面的作用机理，采用原子力显微镜、X-射线光电子能谱分析和量子化学计算考察新型捕收剂在矿物表面的吸附机制；在此基础上，结合计算机模拟技术构建捕收剂与矿物表面的吸附作用模型。通过本项目研究，能够优化阳离子捕收剂的分子结构设计理论、深化阳离子浮选体系的药剂作用机理研究，为开发新型的阳离子捕收剂、优化阳离子反浮选工艺提供理论依据和指导。

针对阳离子捕收剂应用过程中存在的溶解性差、泡沫粘性大等缺点，提出了提高药剂溶解性来降低其泡沫粘性的研究思路。以此为出发点，基于浮选药剂分子结构设计理论，分析了伯胺中引入羟乙基、羟丙基和氯代羟丙基后所形成阳离子捕收剂的分子结构，设计并合成了N,N-二羟乙基十二胺、N,N-二羟丙基十二胺、N-羟丙基十二胺、N,N-二（3-氯-2-羟丙基）十二胺四种新型阳离子捕收剂；在此基础上，借助于赤铁矿反浮选脱硅和菱镁矿反浮选脱硅体系，考察了四种捕收剂在浮选过程中的应用效果，结果表明，四种捕收剂较十二胺具有更强的捕收能力和更好的选择性；同时，四种新型捕收剂浮选泡沫消泡速度更快，剩余泡沫量更少；HLB计算结果表明，新合成的四种捕收剂HLB指数均在5.5以上，可与水形成乳浊液，在浮选体系中扩散速度更快，捕收性能更好。通过红外光谱分析、动电位测试、X-射线光电子能谱检测和量子化学计算，考察了新型捕收剂在矿物表面的吸附机制，构建了药剂与矿物表面的吸附作用模型，结果表明，药剂与矿物表面主要发生静电和氢键吸附；在对药剂浮选性能进行考察的基础上，分析了阳离子捕收剂分子结构与其浮选性能之间的相关关系，构建了阳离子捕收剂的定量构效关系模型，为优化阳离子捕收剂的分子结构设计理论、开发新型的阳离子捕收剂提供理论依据和指导。