Thermodynamics and reaction pathways of furfuryl alcohol oligomer formation

Taejin Kim, Rajeev S. Assary, Richard E. Pauls, Christopher L. Marshall, Larry A. Curtiss, Peter C. Stair

Research output: Contribution to journalArticle

21 Citations (Scopus)

Abstract

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.

Original languageEnglish
Pages (from-to)66-70
Number of pages5
JournalCatalysis Communications
Volume46
DOIs
Publication statusPublished - Feb 10 2014

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Keywords

  • Density functional theory calculation
  • Furfuryl alcohol
  • Oligomerization
  • Terminal CHOH dimer

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)
  • Process Chemistry and Technology

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