An experimental and theoretical kinetic study of the reaction of OH radicals with tetrahydrofuran

Binod Raj Giri, Fethi Khaled, Milán Szori, Béla Viskolcz, Aamir Farooq*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations

Abstract

Tetrahydrofuran and its alkylated derivatives of the cyclic ether family are promising future biofuels because of their advantages over other biofuels e.g. ethanol. The reaction of tetrahydrofuran with OH radicals was studied at 800-1340 K and near 1.5 bar. The reaction can proceed via either direct or indirect abstraction pathways in an overall exothermic process. The indirect channel proceeded via an addition-elimination mechanism in which all the stationary points along the reaction pathway were below the energy of the reactants. The THF + OH (R1) reaction proceeded via either direct or indirect H-abstraction from various sites leading to the formation of tetrahydrofuran-2-yl (THF-R2) or tetrahydrofuran-3-yl (THF-R3) radicals and water. Theoretical kinetic analysis revealed that both channels are important under conditions relevant to combustion.

Original languageEnglish (US)
Pages (from-to)143-150
Number of pages8
JournalProceedings of the Combustion Institute
Volume36
Issue number1
DOIs
StatePublished - 2017

Bibliographical note

KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: FUELCOM program

Keywords

  • Ab initio
  • Cyclic ethers
  • Laser absorption
  • Shock tube
  • Tetrahydrofuran

ASJC Scopus subject areas

  • General Chemical Engineering
  • Mechanical Engineering
  • Physical and Theoretical Chemistry

Fingerprint

Dive into the research topics of 'An experimental and theoretical kinetic study of the reaction of OH radicals with tetrahydrofuran'. Together they form a unique fingerprint.

Cite this