面向燃油深度氧化脱硫的仿生型离子液体的设计

项目名称： 面向燃油深度氧化脱硫的仿生型离子液体的设计

项目编号： No.21276265

项目类型： 面上项目

立项/批准年度： 2013

项目学科： 化学工业

项目作者： 王建龙

作者单位： 中国科学院山西煤炭化学研究所

项目金额： 80万元

中文摘要： 燃油燃烧后排放的SOx对环境造成危害，大多数国家对燃油的硫含量制定了非常严格的标准。以廉价、绿色的分子氧为氧化剂，在温和条件下氧化燃油中的含硫化合物，是一项极具挑战性又充满机会与诱惑的课题。本申请拟以环糊精、冠醚、金属Schiff碱配合物、金属卟啉、金属酞菁等作为催化活性中心，设计制备在常温下为液态的仿生型离子液体。此离子液体同时作为萃取剂及催化剂，以分子氧为氧化剂，在温和条件下对燃油进行深度萃取催化氧化脱硫。利用量子化学计算、回归预测与实测对比仿生型离子液体的催化活性，研究离子液体的结构和组成与催化性能关系。运用表征手段对中间及最终产物进行分析，探讨离子液体萃取催化氧化脱硫的作用及机理。该研究工作对理论设计离子液体、深入了解离子液体中氧化反应、燃油清洁脱硫都具有重要的科学意义。

中文关键词： 仿生催化剂；氧化；脱硫；燃油；离子液体

英文摘要： Sulfur in transportation fuels, particularly in gasoline and diesel, are converted by combustion to SOx, which lead to air pollution and acid rain; therefore, sulfur content specifications in fuels are becoming more and more stringent worldwide. The oxidation of the refractory sulfur-containing compounds in fuels using molecular oxygen as the oxidizing agent under mild conditions has long been desired due to its low cost and green chemistry advantages. In this task, biomimetic ionic liquids based on cyclodextrin, crown ether, metal complexes of Schiff bases, metalloporphyrins, metallophthalocyanine as catalytic active center are designed and prepared. The ionic liquids are fluid phase at the room temperature and employed to desulfurize the organic sulfur in fuel oil with molecular oxygen as the oxidizing agent under mild conditions. The ionic liquids are not only the extractant, but also the oxidative catalyst. The connection of ionic liquids structure and catalytic properties is studied by characterization and comparison catalytic activity with quantum chemistry calculation, regression forecasting and actual measurement. The mechanism of catalytic desulfurization is investigated with analyzing intermediate and end product by using some characterization methods. The project has outstanding scientific significanc

英文关键词： biomimetic catalysts；oxidation；desulfurization；fuel oil；ionic liquids