铝硅酸盐矿物的浮选微界面化学与多尺度模拟方法研究

Based on the surface complexation model of micro-interface chemistry and its calculation methods, the amount and density of active species in the facets of aluminosilicate minerals are investigated. The mathematical correlation methods for the chemical reactivity and mass density of active sites in minerals surface, the chemical composition of facets, and fractal dimensions of mineral particles will be built. The fractal dimension theory and QSAR methods will be recommended to investigate the flotation performances for aluminosilicate minerals particles. The foreseeable results would reveal the relationship of flotation and macroscopic interface properties with micro-interface chemistry properties of aluminosilicate minerals, and formulate multi-scale simulation method of flotation processes. The project will establish the research approach and theory as a function of the characteristic parameters of the amount and density of active species in aluminosilicate minerals facets or interfaces for the micro-interface chemistry of floatation system, form the theoretical prototype for fine control and effective separation of aluminosilicate minerals particles, and provide the key theory for efficient flotation desilication from the complex and refractory ores containing aluminum, iron or phosphorus minerals.

本项目以铝硅酸盐矿物为研究对象，以微界面化学的表面络合化学反应及其计算模式为主要方法，测定并关联计算铝硅酸盐矿物各种晶面的化学反应活性点及其密度，建立矿物颗粒表面活性点及其密度与其晶面组成、颗粒分形维数等的关联计算方法；通过铝硅酸盐矿物浮选的分形理论和QSAR定量构效关系研究，揭示铝硅酸盐矿物微界面化学性质与其宏观界面性质和浮选特性之间的内在关系与规律，建立浮选过程多尺度模拟方法。本项目将建立以矿物晶面活性点及其密度、矿物颗粒表面活性点及其密度为主要特征参数的浮选微界面化学研究方法和理论体系，形成铝硅酸盐矿物浮选的新理论与新方法，为铝、铁、磷等复杂难处理资源的高效浮选脱硅提供理论基础。

我国的铝土矿资源普遍存在品位较低、铝硅比低、处理困难等问题。对铝硅矿物进行界面调控，是浮选分离铝硅矿物、提高铝土矿资源利用率的重要手段。本项目以铝硅矿物与捕收剂的微界面化学为核心，通过铝硅矿物及脉石的晶体结构模拟与溶液化学分析、铝硅矿物浮选捕收剂的分子设计与反应活性分析及溶液化学计算、铝土矿正反浮选技术与界面化学作用机理研究，建立矿物与捕收剂作用的定量构效关系及微界面化学性质与宏观性质和浮选行为的关联，形成了铝硅矿物微界面化学研究基础理论，为铝土矿浮选奠定了理论和方法基础。将铝硅矿物浮选微界面化学理论与正反浮选技术推广应用至高硫铝土矿、钨锡矿、萤石等金属非硫化矿，为金属非硫化矿浮选脱硫、脱硅技术提供了借鉴和参考。