Computational survey of humin formation from 5-(hydroxymethyl)furfural under basic conditions
Keisuke Tashiro, Masato Kobayashi, Kiyotaka Nakajima, Tetsuya Taketsugu
Abstract
By repeatedly utilizing the MC-AFIR method, a comprehensive reaction-path search for the oligomerization of HMF was conducted to clarify the mechanism of humin formation in the oxidation of HMF to FDCA.
Topics & Concepts
HuminChemistryFurfuralHydroxymethylReaction mechanismReagentFuranQuantum chemicalChemical reactionOrganic chemistryMoleculeCatalysisHumic acidFertilizerCatalysis for Biomass ConversionMesoporous Materials and CatalysisCatalysis and Hydrodesulfurization Studies