Abstract:
Coal tar is rich in polycyclic aromatic hydrocarbons (PAHs). The selective hydrogenation of PAHs is not only a means to eliminate persistent environmental pollutants but also a key technology for producing high-energy-density aviation fuels and liquid organic hydrogen carriers (LOHCs). However, owing to the complex competitive reaction pathways triggered by the dearomatization of intermediates, this process still faces significant challenges in the precise control of hydrogenation depth. Mechanistic analysis reveals that the adsorption configuration of PAHs on the catalyst surface (regulated by the electronic and geometric structures of the metal) and the reduced stability of hydrogenation intermediates are key factors affecting selectivity. This paper systematically reviews the catalytic regulation strategies for the selective hydrogenation of PAHs. Regarding active metals, the review highlights how alloying design, size effects, and the optimization of metal-support interactions (MSI) enhance the specific recognition capability of active sites for target intermediates, thereby balancing product generation and desorption rates. Regarding supports, it expounds on the guiding role of regulating the spatial distribution of hydrogen species via pore shape-selective catalysis and hydrogen spillover mechanisms in directing reaction pathways. Currently, research in this field still exhibits significant gaps in the visualization of reaction pathways, the tracking of the dynamic behavior of intermediates, and the quantitative analysis of hydrogen migration. Future studies need to integrate in-situ characterization, theoretical simulations, and machine learning to construct precise "structure-selectivity" relationship models. This will guide the rational design of high-efficiency catalysts, thereby breaking through the technical barriers to the high-value utilization of coal tar and achieving the precise synthesis of novel energy chemicals.