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Abstract:
In the slurry-phase hydroconversion to produce biofuels, the reaction mechanism for hydrodeoxygenation of long-chain unsaturated olefinic acids is still unclear. Here, MoS2 was in-situ generated during reaction using molybdenum(IV) 2-ethylhexanoate as the oil-soluble precursor. The generated MoS2 was identified with 1 T (or 1 T’) phase rather than 2H phase based on Raman and EXAFS analysis. It is found that the hydrogenation of monounsaturated bonds firstly takes place, followed by the hydroconversion of carbonyl groups. Wax esters are then produced as the heavy by-products with up to ∼69.3 % yield at 290 ℃, however, it can be quickly consumed above 310 °C. Based on the in-situ FTIR and DFT results, the consumption of acids and formation of wax esters was distinctly illustrated. The C-O bond of the monodentate ester-type acid dissociates to form acyl group, which is then hydrogenated to form alkoxide, and they are finally combined to generate wax esters. © 2025 Elsevier Ltd
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Chemical Engineering Science
ISSN: 0009-2509
Year: 2026
Volume: 320
4 . 1 0 0
JCR@2023
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ESI Highly Cited Papers on the List: 0 Unfold All
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