A formal kinetic model describing the main reaction pathways
yielding
demethoxylated monomeric phenols from wheat straw lignin in a hydrogen-enriched
solvolysis reaction system using ethanol as cosolvent has been developed.
The simplified lump model combines both a detailed focus on the deoxygenation
reactions at molecular level as well as the reactions of global
bulk lumps. The results show that depolymerization of lignin structures
is quickly achieved and that deoxygenation reactions largely follow
a main route pathway via intermediate methoxyphenols and catechols
to give stable phenols in the liquid phase. Observed ethyl group substituents
of phenolics are seen to originate from either alkylation reactions
of the intermediates, or directly from the depolymerizing structures.
A high correlation between primary 4-ethylphenol products and para-coumaryl units in the examined lignin suggests that
main reaction pathways are strongly dependent on the type of plant
lignin used.
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