煤矸石可控制备纳米分子筛-活性炭复合材料的性能与机理研究

本项目以低热值、多组分煤矸石为研究对象，充分利用其中的C、Si、Al、Na、K等元素，合成低成本、高活性的A型、X型纳米分子筛-活性炭复合材料。首先对反应体系中部分化合物未知的标准生成吉布斯自由能等热力学参数进行计算、测量和验证，计算部分多相体系的相图和优势区相图，然后对分子筛-活性炭复合材料进行化学成分设计和确定合成条件；通过研究煤成分向活性炭转化过程中物质结构、孔隙结构和含氧官能团的变化规律，调控活性炭的微观结构；通过研究分子筛的晶粒生长动力学和孔径变化规律，调控分子筛的微观结构；改进模式识别算法，对材料制备过程中的多因素技术参数进行优化；计算部分分子筛未知的晶体结构；研究纳米分子筛-活性炭的组成比例、微观结构变化与材料性能的关系，以及二者的协同作用机理。上述研究成果将为充分利用煤矸石中的多数元素合成可用于高效催化和环保领域的纳米分子筛-活性炭新型复合材料提供理论和方法。

Selecting coal gangue with low calorific value and multi-component as the research object, this project makes the most of major elements such as C, Si, Al, Na, K, etc to synthesize a series of low-cost and high activity nanoscale zeolite A or zeolite X-activated carbon composite materials. Firstly, the unknown thermodynamic parameters, such as standard Gibbs free energy of formation of some compounds in the reaction system are to be calculated, measured and verified. And the phase diagram and predominant phase diagram of some multiphase system will be calculated. Then, the chemical composition and synthesis condition of zeolite-activated carbon composite materials will be designed and determined. In the process of component of coal transformation to activated carbon, the microstructure of activated carbon could be controllable preparation through the study on transformation rules of material structures, pore structures, and oxygen-containing functional groups. The microstructure of zeolite could also be regulated through the study on grain growth kinetics and transformation rules of aperture of zeolite. The multi-factor technical parameters could be optimized in the manufacture process with improving the pattern recognition algorithm. Some zeolite with unknown crystal structure will be calculated. The relationship and synergy mechanism between the variation of microstructure or composition ratio and properties of nanoscale zeolite and activated carbon will be systematic studied. The results of this project will provide theories and methods for synthesis of nanoscale zeolite-activated carbon, which are used in the fields of catalytic and environment protection, by making use of the main component in coal gangue.