The acid-catalyzed transformation of furfuryl alcohol (FA) monomer to oligomers has been studied in the liquid phase to investigate the reaction mechanisms and intermediate species by using a combination of quantitative reaction product measurements and density functional theory calculations. FA monomer was converted into oligomers with a broad range of carbon number: C 9-C10, C14-C15, C 19-C29, > C29. Based on the calculations, terminal CH2OH dimer formation is both kinetically and thermodynamically favored, consistent with the experimental results. The order for dimer production in the C9-C10 range follows terminal CH2OH > ether bridged-methylene bridged dimer > OH-carbon bridge.
- Density functional theory calculation
- Furfuryl alcohol
- Terminal CHOH dimer
ASJC Scopus subject areas
- Process Chemistry and Technology