Reduction of the gas-phase reaction mechanism of iso-octane for the catalytic oxidation and non-catalytic applications

Karadeniz H., SOYHAN H. S., Soruşbay C.

FUEL, vol.263, 2020 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 263
  • Publication Date: 2020
  • Doi Number: 10.1016/j.fuel.2019.116483
  • Journal Name: FUEL
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, PASCAL, Aerospace Database, Agricultural & Environmental Science Database, Biotechnology Research Abstracts, Chimica, Communication Abstracts, Compendex, INSPEC, Metadex, Pollution Abstracts, Civil Engineering Abstracts
  • Istanbul Technical University Affiliated: Yes


In this study, catalytic oxidation of iso-octane is investigated for a very fuel-rich and for a fuel-lean condition in a batch reactor. For this purpose, skeletal mechanisms are derived and their results are compared with detailed reaction mechanism results. It is shown that skeletal mechanisms, which have 61-62% less species and 57-59% less reactions than the detailed reaction mechanism, allow an accurate prediction of species distributions in the batch reactor. Hydrogen selectivity decrease and soot precursors increase at fuel-rich condition. Further, the behavior of a gas composition downstream a catalyst is investigated for fuel-rich conditions in a plug-flow reactor. Skeletal mechanism yields similar results to the detailed reaction mechanism and experiment in plug-flow reactor. The results show that iso-octane is completely converted in the beginning of the reactor (0.01-0.05 m) for fuel-rich conditions, while other hydrocarbon species like methane, ethylene, propylene and acetylene are produced within 0.05 m.