An improved detailed chemical kinetic model for C3-C4 linear and iso-alcohols and their blends with gasoline at engine-relevant conditions

Chiara Saggese, Charlotte M. Thomas, Scott W. Wagnon, Goutham Kukkadapu, Song Cheng, Dongil Kang, S. Scott Goldsborough, William J. Pitz

Research output: Journal article publicationJournal articleAcademic researchpeer-review

10 Citations (Scopus)


Propanol and butanol isomers have received significant research attention as promising fuel additives or neat biofuels. The ignition and combustion behavior of pure C3-C4 linear and iso-alcohols, and their blends with gasoline at engine-relevant conditions were investigated using a kinetic model with improved thermochemistry and reaction kinetics developed based on recent theoretical calculations of H-atom abstraction and peroxy radical reaction rates. Variations in reactivity over a wide range of temperatures and other operating conditions were well predicted by the current model. Recent ignition delay time measurements from a rapid compression machine of neat iso-propanol and iso-butanol and blends with a research grade gasoline at elevated pressure (20–40 bar) and intermediate temperatures (780 K–950 K) were used to demonstrate the accuracy of the current kinetic model at conditions relevant to boosted spark-ignition engines. The effects of alcohol blending with gasoline on the autoignition behavior are discussed. The current model captured the suppression of reactivity in the low-temperature and negative-temperature-coefficient region when either isopropanol and isobutanol are added to a research grade gasoline. Sensitivity and reaction flux analysis were performed to provide insights into the relevant fuel chemistry of the C3-C4 alcohols.

Original languageEnglish
Pages (from-to)415-423
Number of pages9
JournalProceedings of the Combustion Institute
Issue number1
Publication statusPublished - Jan 2021
Externally publishedYes
Event38th International Symposium on Combustion, 2021 - Adelaide, Australia
Duration: 24 Jan 202129 Jan 2021


  • Butanol
  • Chemical kinetics
  • Fuel blend combustion
  • Ignition delay time
  • Propanol

ASJC Scopus subject areas

  • Chemical Engineering(all)
  • Mechanical Engineering
  • Physical and Theoretical Chemistry

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