Ca对蒙东褐煤热化学反应表现出显著的催化效应，揭示其催化机理具有重要理论意义。化学反应过程中，蒙东褐煤大分子立体网状结构解离与重组交织进行，在生成挥发性气体及轻组分烃类的同时，连续变化而形成系列微结构组元。Ca等金属组分使蒙东褐煤易生成反应性高的低分子结构碎片单元，同时所形成的微结构组元也更具反应性，从而在整体化学反应中显示了催化作用。本项目综合运用FTIR、XRD、HRTEM、SEM、XPS、13C NMR、EELS和NEXAFS/XANES等表征技术，研究热化学反应过程煤焦微结构，获得其大分子微结构(官能团、结晶、形貌和键合等)的各种详细信息，分析蒙东褐煤与金属成分的结合形态(组成/结构)及其在热化学反应过程微结构变化规律，解析并确定煤焦基元微结构(组成/织构)的转化演变历程及其规律，揭示其催化效应的煤焦基元微结构基础，建立其催化作用机理模型，为蒙东褐煤高效低碳开发利用奠定理论基础。

Ca presented significant catalytic effect on Mengdong lignite during thermal chemical reaction. The catalytic mechanism has important theoretical significance. During thermal chemical reaction process, three-dimensional network of macromolecules of Mengdong lignite continuously dissociated and recombinated. In addition to generating volatile gases and light hydrocarbons components, series of microstructure component are formed. The presence of Ca and other metal components make the low molecular structural fragment with highly reactive easy to generate, meanwhile the formed microstructure component also has a higher reactivity, which played a catalytic role for its overall chemical reaction. The project integrated use of FTIR, XRD, HRTEM, SEM, XPS, 13C NMR, EELS and NEXAFS/XANES to characterize the microstructure of the residual char. Details macromolecular microstructure (functional group, crystallization, morphology and bond characteristics) transformation of the residual cahr will be get during coal chemical reaction process. The combination between metal components and lignite matrix and their microstructure variation will be analysis during chemical reactions process. The evolution and transformation behaviors of char primitive microstructure(components and textures) will be resolved and determined. The basical microstructures foundation of char offering catalytic effect during thermo reaction will be uncovered, which used to establish the catalytic mechanism model. The theoretical discovery of this project will provide a theoretical basis and technical support for the development and utilization of Mengdong lignite.