SAPO分子筛催化剂在MTO反应过程中起着至关重要的作用，但是该催化剂的定向合成仍然是一个具有挑战的课题。目前主要是通过计算模拟的方式来辅助定向合成。存在的局限性在于1）只考虑有机结构导向剂的作用，而忽略了无机结构导向剂；2）忽略了带正电的结构导向剂和带负电荷SAPO分子筛骨架的相互作用；3）无法考虑到合成对骨架杂原子分布和结构导向剂的影响。针对以上难点，本项目基于结构精修结果发展了一种快速筛选结构导向剂来辅助定向合成SAPO分子筛的新方法。该方法利用X-射线衍射或者电子衍射数据精修SAPO分子筛，确定结构导向剂的位置及其主客体化学信息；然后总结结构导向剂的特点，进而寻找到具有类似结构特点的廉价结构导向剂。本项目为拓展已知SAPO分子筛的合成、全新拓扑结构的SAPO分子筛以及构-效关系的研究提供一条有效途径。目前，初步的研究结果证明了该项目的可行性。

SAPO molecular sieves (MSs) have played a significant role in the MTO catalytic reaction, however, the targeted synthesis of SAPO MSs with tailored properties is still a challenging topic. For the present, the targeted synthesis of SAPO MSs is usually facilitated by the computational simulation method. Their limitations are listed as follows: 1) the roles of organic structure directing agents (OSDAs) are only considered while contributions from inorganic cations are ignored; 2) the interaction between OSDA and SAPO framework is ignored; 3) it is challenging to correlate the distribution of hetero-atom in the framework with its synthesis using the computational simulation method. Therefore, in this project, a novel approach for selecting the appropriate OSDAs has been developed to facilitate the targeted synthesis of SAPO MSs, which can overcome the aforementioned limitations. This approach is mainly based on the structural refinement results against X-ray or electron diffraction data. The locations of SDA can be determined through the structural refinement, and the structural features of SDA will be further summarized. Finally, we search for cheaper SDAs with similar structural features among the commercialized ones. This approach not only extends the synthesis of specific known SAPO MSs, but also provides the insights into the synthesis of SAPO MSs with novel topologies. Combining catalytic results of the MTO reaction, it also opens an avenue for investigating their structure-activity relationships. Currently, the preliminary research results have proven the feasibility of the project.