Mechanistic and thermodynamic insights into the deoxygenation of palm oils using Ni2P catalyst: A combined experimental and theoretical study

Chemical Engineering Journal(2020)

引用 16|浏览14
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摘要
•Reaction mechanisms of competitive deoxygenation via HDO, DCO, DCO2 pathways.•Characterization result suggests that (0 0 1)-Ni2P facet is the dominant plane.•DCO pathway is preferred over HDO, while DCO2 is unlikely.•Rate-limiting steps = C4H9OH hydrogenolysis (DCO) and C3H7COOH hydrogenation (HDO).•Higher reaction temperature tends to increase selectivity toward HDO pathway.
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关键词
Deoxygenation,Reaction pathways,DFT,Thermodynamics,Biofuel production
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