Radical-mediated deoxygenation and coke precursor formation during pyrolysis of waste-derived oil model compounds: Fixed-bed experiments and ReaxFF molecular dynamics simulations

Rui Liang

doi:10.1016/j.joei.2026.102673

Radical-mediated deoxygenation and coke precursor formation during pyrolysis of waste-derived oil model compounds: Fixed-bed experiments and ReaxFF molecular dynamics simulations

2026-07-21

0

PRE

AI

R

Rui Liang

C

Chan Zou *

Y

Yongqi Zhang

刘惠敏 (Huimin Liu)

F

Fu Yang

胡

胡红云 (Hongyun Hu)

DOI：10.1016/j.joei.2026.102673

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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.

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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