Chemical kinetic interactions of NO with a multi-component gasoline surrogate: Experiments and modeling

Song Cheng, Chiara Saggese, S. Scott Goldsborough, Scott W. Wagnon, William J. Pitz

Research output: Journal article publicationJournal articleAcademic researchpeer-review

2 Citations (Scopus)


This work reports an experimental and modeling study on the chemical kinetic interactions of NO with a multi-component gasoline surrogate, namely PACE-20, using a twin-piston rapid compression machine at a stochiometric fuel loading with 20% EGR (exhaust gas recirculation) by mass, pressures of 20 and 40 bar, and temperatures from 700 to 930 K. Five NO concentrations are investigated, namely 0, 20, 50, 70 and 150 ppm, where NO addition effects are characterized through changes in PACE-20 ignition reactivity and heat release characteristics. Experiments indicate that within the low-temperature regime, NO promotes low-temperature heat release rate and main ignition reactivity at low addition levels, with saturation or even inhibiting effects observed at >50 ppm NO addition, while within the NTC/intermediate-temperature regime, adding NO only promotes reactivity. A recently updated, detailed chemical kinetic model with chemistry specific to NOx/hydrocarbons interaction incorporated is used to simulate the experiments, and reasonable agreement is obtained. In-depth sensitivity and rate of production analyses are further performed. The results indicate that NO interacts with PACE-20 via two types of interaction: (a) direct interactions between NO and PACE-20 derivatives, primarily through NO+HO2→NO2+OH and RO2+NO→RO+NO2, and (b) indirect interactions between PACE-20 derivatives and NO2 produced from the direct interactions, primarily through R+NO2→RO+NO. The observed NO inhibiting effect at low temperatures and 150 ppm NO addition is attributed to the lack of HO2 radicals to sustain NO consumption via NO+HO2→NO2+OH, and the take-up of inhibiting pathways via RO2+NO→RO+NO2. The results also indicate that even with the presence of multiple fuel components, NOx/hydrocarbons interactions are highly selective, and are mainly initiated by the interactions between NO and RO2 radicals from cyclopentane and ethanol, as well as between NO2 and R radicals from toluene, 1,2,4-trimethylbenzene and 1-hexene. Further studies on these interactive reactions are therefore highly recommended.

Original languageEnglish
Pages (from-to)531-540
JournalProceedings of the Combustion Institute
Issue number1
Publication statusAccepted/In press - 2022


  • Autoignition
  • Chemical kinetic interaction
  • Multi-component gasoline surrogate
  • NOx

ASJC Scopus subject areas

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


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