离子液体在汽柴油中溶解行为的研究

项目名称： 离子液体在汽柴油中溶解行为的研究

项目编号： No.21276020

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： 陈晓春

作者单位： 北京化工大学

项目金额： 80万元

中文摘要： 随着我国对汽柴油中硫含量的要求越来越高，炼油企业正面临严峻的挑战，因为传统加氢脱硫装置/技术难以脱除干净汽柴油中的噻吩类稠环硫化物。近期研究表明，离子液体在汽柴油脱硫中展现出了良好应用前景，但离子液体在真实汽柴油中的溶解成为制约该技术进一步发展应用的瓶颈。在本课题，我们将从离子液体、汽柴油组份化合物的微观本质出发，采用QM/MD计算机模拟和实验相结合，研究离子液体、汽柴油组份化合物在电子/分子水平上的微观作用，揭示出离子液体在真实汽柴油中溶解的微观机理，为脱硫离子液体的设计与合成提供依据，然后，设计/合成一系列用于脱硫的、不溶于真实汽柴油的功能化离子液体，确立最佳的脱硫工艺条件，实现汽柴油中硫含量<5ppm、离子液体在汽柴油中溶解度<10 ppm的目标，同时研究真实汽柴油中离子液体的再生和催化加氢脱除性能，提供离子液体在汽柴油中溶解的另一个解决方案。因此，本课题具有理论意义和实际应用价值。

中文关键词： COSMO-RS；离子液体；脱硫；互溶度；燃料油

英文摘要： Due to the ineffectiveness of traditional hydrodesulfurization in removing some condensed-ring thiophenic compounds, the refinery is facing mounting challenges with more rigid limitation of S-content in gasoline or diesel fuel. The deep sulfurization using ionic liquids (ILs) has presented a good future as demonstrated in recent studies. The dissolution of ionic liquids in the real oils, however, has prevented this method from further development. In this study, starting from the micro-structure / -interaction of ILs and the components of real oils, we combine the computer simulation (QM/MD) and experimental investigation to discover the mechanism of the solubility of ILs into oils at electronic or molecular levels, which will provide a theoretic base for the rational design and synthesis of ILs for desulfurization. A series of functional ILs will be prepared and the desulfurization conditions will be optimized through the investigation of desulfurization experiment. The S-content in oils < 5 ppm and the solubility of ILs in oils < 10 ppm will be realized finally. The other solution, i.e., the regeneration of ILs from oils and its catalytic decomposition, will also be studied. This work is valuable both in theory and application.

英文关键词： COSMO-RS；ionic liquids；desulfurization；mutual solubility；fuel oil