Study on the mechanism of aromatic hydrocarbon catalytic hydrogenation

doi:10.16085/j.issn.1000-6613.2018-2303

Abstract

Abstract: The reaction active sites of naphthalene, phenanthrene, anthracene and pyrene obtained by different calculation methods are summarized. The catalytic hydrogenation mechanism of benzene on metal surface-aromatic hydrocarbon exchange mechanism is summarized. The basic reaction steps of phenanthrene forming dihydrophenanthrene on the surface of MoS₂/Al₂O₃ catalyst and the formation of tetrahydrophenanthrene on the surface of Ni-MoS₂/Al₂O₃ catalyst are discussed. The process is summarized. The network diagram of anthracene catalytic hydrogenation reaction and whether the middle ring breaks under different catalytic conditions are given. The reaction diagram of catalytic hydrogenation mechanism of pyrene to dihydropyrene. Tetrahydropyrene and hexahydropyrene on Raney Nickel (W-7) catalyst surface is given. The hydrogenation of pyrene is judged according to the theory of minimum energy. The possible hydrogenation pathways of pyrene to dihydropyrene, tetrahydropyrene, hexahydropyrene and dehydropyrene were calculated by the method of preferential reaction location. The regularity of catalytic hydrogenation of polycyclic aromatic hydrocarbons (PAHs) such as anthracene and phenanthrene was summarized. Deepening the research on the mechanism of PAHs catalytic hydrogenation will better guide the lightening of heavy oils, so it is of great significance to study the mechanism of PAHs hydrogenation.

Key words: hydrocarbons, hydrogenation, reaction, catalysis

摘要： 对萘、菲、蒽及芘根据不同计算方法所得的反应活性位进行总结，对苯在金属表面的催化加氢机理-芳烃交换机理进行概括，对菲在MoS₂/Al₂O₃催化剂表面生成二氢菲的基元反应步骤和在Ni-MoS₂/Al₂O₃催化剂表面加氢生成四氢菲的过程进行总结，还给出了蒽的催化加氢反应网络图，分析了在不同催化条件下蒽是否有中环断裂情况的发生，给出了芘在RaneyNickel（W-7）催化剂表面生成二氢芘、四氢芘和六氢芘的催化加氢机理反应图，以及根据能量最低理论，判断芘发生加氢反应的优先位置情况，分别计算了芘加氢生成二氢芘、四氢芘、六氢芘和十氢芘可能存在的加氢路径。并总结了蒽、菲等多环芳烃发生催化加氢反应的规律。加深对多环芳烃催化加氢机理的研究将更好地指导重质油轻质化的进行，因此对多环芳烃催化加氢机理的研究具有重要意义。

关键词: 碳氢化合物, 加氢, 反应, 催化

CLC Number:

TE621

FAN Xi, SHEN Haiping, HOU Huandi, GUO Xin. Study on the mechanism of aromatic hydrocarbon catalytic hydrogenation[J]. Chemical Industry and Engineering Progress, 2019, 38(s1): 133-138.

范曦, 申海平, 侯焕娣, 郭鑫. 芳烃催化加氢反应机理的研究进展[J]. 化工进展, 2019, 38(s1): 133-138.

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