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Catalytic deoxygenation of coal is an important step to obtain high quality coal-derived liquid fuels. Bimetallic catalysts exhibit excellent hydrodeoxygenation performance, because their synergistic effects. In this work, NiO–Mo 2 O 3 /ZSM-5 was prepared by impregnation method, and applicated to catalytic hydrodeoxygenation of Wucaiwan long flame coal (WCW). The thermal dissolution (TD) and catalytic hydrodeoxygenation (HDO) of WCW were investigated using cyclohexane as the solvent. The soluble portions from TD (SF NHDO) and HDO (SF HDO) were analyzed by gas chromatograph/mass spectrometry. The relative abundance of arenes and alkanes in SF HDO increased by 12.30 % and 29.98 %, respectively, compared to that in SF NHDO. Most detected oxygen-containing compounds in SF NHDO were alcohols and ethers, and their relative abundances decreased by 50.27 % and 84.13 %, respectively, after the catalytic treatment. Thus, the cleavage of C–O bond and deoxygenation in WCW were significantly proceeded during the HDO of coal over NiO–Mo 2 O 3 /ZSM-5 catalyst. The hydrodeoxygenation mechanism was proposed according to the catalytic deoxygenation of model compounds. Mobile H+ attacks oxygen atom and iso-carbon in coal, and produces aryl-molecules and aromatic alcohols. Aryl-molecules can be also generated from the attacking of H+ to the oxygen atom in aromatic alcohols. • NiO–Mo 2 O 3 /ZSM-5 was prepared for hydrodeoxygenation of long flame coal. • The catalyst is effective for the generation of arenes and alkanes. • Hydrodeoxygenation mechanism was revealed via catalytic reaction of model compounds. [ABSTRACT FROM AUTHOR]

[Display omitted] • Mesoporosity and hydrophobicity improve the reusability of the catalysts. • The balance of metal/acidic sites is critical for maximizing PCA yields. • Changes in metal/acid ratio had a greater effect on PCA yield in PP-ol than in ODB. • Partial hydrogenation of ODB is a necessary step before C-O bond cleavage. MY zeolites with mesopores were prepared by hydrothermal method using functionalized SiO 2 (F-SiO 2) as a silica source, and hydrophobic bifunctional Ru/MY- O catalysts were obtained by deposition precipitation method and silylation treatment. This work aims at obtaining polycyclic alkane (PCA) based high-density hydrocarbon fuels (HDHFs). We focused on the catalytic hydroconversion (CHC) of 2-phenoxy-1-phenylethanol (PP-ol) and oxydibenzene (ODB), two typical lignin-related model compounds (LRMCs), over Ru/MY- O. The effects of different reaction conditions and catalysts on the product distribution in PP-ol and ODB were investigated. The partial hydrogenation of ODB was found to be a necessary step before achieving C-O ether bond cleavage and C-C bond coupling. The balance of metal/acidic sites is critical for maximizing PCA yields. Changes in the metal/acid ratio had a greater effect on PCA yield in PP-ol than in ODB. Poor stability of cycloalkyl cations and partial hydrogenation of ODB hinder the generation of C-C coupling products. The incorporation of mesopores and hydrophobic treatment were found to weaken the negative effects of C-C bond coupling products and water on the catalyst. The conversion of Ru 3 /MY- O was improved by nearly 10% compared to Ru 3 /Y in the fifth cycle reaction. This work provided a theoretical basis for the generation of HDHFs from lignin. [ABSTRACT FROM AUTHOR]