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

doi:10.1016/j.catcom.2013.11.030

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

Northwestern University

Research output: Contribution to journal › Article

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 language	English
Pages (from-to)	66-70
Number of pages	5
Journal	Catalysis Communications
Volume	46
DOIs	https://doi.org/10.1016/j.catcom.2013.11.030
Publication status	Published - 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

Cite this

Kim, T., Assary, R. S., Pauls, R. E., Marshall, C. L., Curtiss, L. A., & Stair, P. C. (2014). Thermodynamics and reaction pathways of furfuryl alcohol oligomer formation. Catalysis Communications, 46, 66-70. https://doi.org/10.1016/j.catcom.2013.11.030

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AU - Stair, Peter C.

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10.1016/j.catcom.2013.11.030