作为重油轻质化的重要手段，我国催化裂化（FCC）年加工能力已超2亿吨。随着产品质量升级和生产过程清洁化要求不断提高，对FCC原料进行加氢预处理成为首要选择。但由于对两个反应过程分子水平转化规律认识不深入，导致加氢饱和的环烷芳烃在FCC过程中重新脱氢生成稠环芳烃，增大FCC外甩油浆量，降低分子管理效率。本项目将采用分子蒸馏和先进分析手段从分子层面深入认识重油资源；结合分子模拟技术深入研究多环芳烃催化加氢和环烷芳烃催化裂化分子水平转化规律，认识烃分子结构尺寸、催化剂性质和反应条件对多环芳烃加氢饱和及环烷芳烃开环裂化的影响机制；开发FCC专用催化剂，促进环烷芳烃开环裂化反应，实现多环芳烃加氢饱和与开环裂化反应在分子尺度上的接力，为发展多环芳烃定向转化新技术奠定基础；进一步完善重油催化加氢和催化裂化分子尺度动力学模型，并建立系统模型，实现整个过程的分子级模拟及优化控制，大幅提高目的产品收率和附加值

Fluid catalytic cracking is a major method for converting heavy oil into light products. In China, the processing capacity of FCC units has over 200 million tons per year. As the requirement of clean products and productive processes, the hydroprocessing of FCC feedstocks become the first choice. However, as the lack of understanding of the two reaction processes at the molecular level, the saturated aromatics become polycyclic aromatics again by dehydrogenation reactions in the FCC process, which increases the yield of slurry and reduces the efficiency of molecular management. This project will have a deeper understanding of heavy oil at the molecular level by the molecular distillation and advanced analytic methods. The molecular simulation will help to understand the hydrogenation of polycyclic aromatics and the catalytic cracking of naphthenic aromatics at the molecular level. Furthermore, the influencing mechanism of molecular structure size, catalyst properties, and reaction conditions on the saturation of polycyclic aromatics and the cracking of naphthenic aromatics will be studied. On the basis of the experimental results, the novel FCC catalyst will be developed, which can enhance the ring-opening reaction of naphthenic aromatics, realize the relay of ring-saturating and ring-opening reactions of polycyclic aromatics at the molecular level, and lay the foundation for the development of novel technologies for converting polycyclic aromatics into high value-added products. Finally, molecular kinetic models of heavy oil hydroprocessing and catalytic cracking will be modified and the system model will be established to realize the process simulation and control at the molecular level, which can increase the yield and value-added of products significantly.