关键词: 催化裂化油浆, 菲, 芘, 2-甲基菲, 加氢反应网络, Benson基团贡献法, 热力学计算

Abstract: The Benson group contribution method was used to estimate the standard molar enthalpy of formation, absolute entropy and constant pressure molar heat capacity of compounds lacking in the hydrogenation reaction network of phenanthrene (PH), pyrene (PY) and 2-methylphenanthrene (2-MP). Based on physical property data, the enthalpy change, Gibbs free energy change, and conversion rate of each reaction in the PH, PY and 2-MP hydrogenation reaction network were calculated. The calculation results showed that the dehydrogenation reaction in the hydrogenation reaction network of PH, PY and 2-MP was all endothermic reactions, and there was a temperature-sensitive region inthe equilibrium conversion of dehydrogenation reaction in the hydrogenation network of PH, PY and 2-MP. The equilibrium conversion rate of each dehydrogenation reaction approached 100% by adjusting the reaction temperature, and the existence of methyl branched chain made the dehydrogenation reaction easier for the hydrogenation products of polycyclic aromatic hydrocarbons with the same degree of hydrogenation. For the hydrogenation products of polycyclic aromatic hydrocarbons with the same degree of hydrogenation and number of methyl branches, the more aromatic rings there were, the easier the dehydrogenation reaction was. Under reaction conditions of a pressure of 0-2 MPa and a temperature of 300-800 K, high temperature and low pressure were favorable for the dehydrogenation reaction in the hydrogenation reaction network of PH, PY and 2-MP.

Key words: FCC slurry, luxuriant, pyrene, 2-methylphenanthrene, hydrogenation reaction network, Benson group contribution method, thermodynamic calculation