Theoretical investigation on the reaction mechanisms of O2‐initiated gas‐phase oxidation of lignin model compounds
Shuqi Dong,
Hui Zhang,
Xia Du
et al.
Abstract:Transforming renewable lignin into high value‐added chemicals is a forward‐looking strategy to address the resource waste caused by insufficient utilization of biomass resources. On this basis, studying the efficient conversion of lignin to aldehydes/acids and their reaction mechanisms has become an attractive topic. A systematic investigation of the gas‐phase oxidation reaction mechanisms of the three model compounds initiated by O2 was carried out at the atomic and molecular levels by using density functiona… Show more
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