柴油馏分深度加氢脱硫过程中有色体形成机理的研究

为了生产含低硫、色度好的柴油产品，采用计算机分子模拟技术研究了柴油馏分深度加氢脱硫(HDS)过程中多环芳烃有色体的形成机理。研究结果显示，柴油馏分中难脱除硫化物4-MDBT、4，6-DMDBT的HDS中间产物生成多环芳烃的反应历程中每步反应的活化能较低，其中的缩合环化反应为吸热反应。模拟产物符合实验事实，表明模拟计算的多环芳烃有色体形成路径是可能的、合理的。

Study on the fluorescent products formation during the deep HDS of diesel distillates

Deep hydrodesulfurization(HDS)of diesel distillates to reduce the sulfur content of diesel fuel is urgently required for theenvironmental protection.Raising the temperature or prolonging the reaction time at relatively low hydrogen pressure may reduce thesulfur content,but some fluorescent products are induced under such conditions which impair the quality of the diesel fuel product.Mo-lecular simulation technologies were used to explore the mechanism of fluorescent products formation during the deep HDS of diesel dis-tillates.The reaction routes of the fdrmation of the polycyclic aromatic hydrocarbons,namely fluorescent products,were simulated.