Toward maximizing the selectivity of diesel-like hydrocarbons from oleic acid hydrodeoxygenation using Ni/Co-Al2O3 embedded mesoporous silica nanocomposite catalysts: An experimental and DFT approach

Aasif A. Dabbawala,Omer Elmutasim,Mark A. Baker,Georgios Siakavelas,Dalaver H. Anjum,Nikolaos D. Charisiou,Steven J. Hinder,Catherine J. Munro, Marko Gacesa,Maria A. Goula,Kyriaki Polychronopoulou

APPLIED SURFACE SCIENCE（2023）

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摘要

•M−Al2O3/SiO2 composite catalysts are superior HDO catalysts compared to the non-modified SiO2 based one.•Ni and NiCo based catalyst favored deCOx pathway, whereas Co one favored HDO pathway.•DFT calculations showed that NiCo bimetallic catalyst favors stronger adsorption of oleic acid.•Higher charge transfer happens from the bimetallic surface to the oleic acid.

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关键词

Hydrodeoxygenation,Oleic acid,Hydrogen,Selective Deoxygenation,Nickel,Cobalt,Composites,Bimetallicity,Ab-initio studies

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