石油产品深度脱硫技术对我国大气环境污染治理至关重要。本项目以开发沸石咪唑酯骨架材料(ZIFs)深度吸附脱硫的旋流分离技术为目标，采用实验与分子模拟相结合的方法，系统地研究新型ZIFs材料拓扑结构的生长和组装规律，建立ZIFs结构和对噻吩类硫化物吸附性能的关系，阐明ZIFs材料的结构和表面性质与噻吩类硫化物的相互作用机制，揭示ZIFs的纳微尺度构效关系，获得具有高效吸附脱硫特性的ZIFs结构设计思路和合成方法。系统考察旋流场中吸附剂颗粒运动状态与分离效率的关系，揭示旋流场强化固液吸附与分离耦合的机制，探索建立低能耗旋流分离深度吸附脱硫新工艺。通过高效ZIFs吸附材料和旋流吸附分离耦合工艺的研究，为实现石油产品高效节能的深度吸附脱硫技术提供理论指导和基础数据。

Deep desulfurization technology of petroleum products is essential to control the atmosphere pollution in China. This project will focus on the developments of the novel adsorbents of Zeolitic Imidazolate Frameworks (ZIFs) and the hydrocyclones technology for the deep desulfurization. Combining the experimental and molecular simulation methods, we will investigate the growth of the topological structures of new type ZIFs materials, and establish a molecular simulation method to study the interactions between ZIFs and thiophenes and the adsorption activities of ZIFs. Based on the understanding of the relationship of the structures and surface properties of ZIFs with the adsorption properties, we can obtain a novel high efficient ZIF-type adsorbent for the desulfurization. Meanwhile, the hydrocyclone separation process for the deep desulfurization will be established. We will investigate effects of the spiral flow field on the movement of the adsorbents and the separation efficiency, as well as clarify the mechanism of the coupling of dynamic adsorption and solid-liquid separation. Through systematical investigations of ZIFs adsorbents and hydrocyclone separation process, we can provide some basic theories and data for improving separation efficiency and reducing the energy consumption of the ultra-deep desulfurization technology.