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Radical-mediated deoxygenation and coke precursor formation during pyrolysis of waste-derived oil model compounds: Fixed-bed experiments and ReaxFF molecular dynamics simulations
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DOI：10.1016/j.joei.2026.102673.png)
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Abstract
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• Six model compounds showed distinct thermal stability and product selectivity. • CO/C2H2 mapping revealed deoxygenation–coke-precursor trade-offs. • Furfural and acetic acid acted as early radical sources in mixtures. • Radical interactions promoted both CO and C2H2 formation during pyrolysis. • Phenol and furfural contributed strongly to coke-precursor formation.
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