Modeling nitrogen chemistry in combustion

Peter Glarborg*, James A. Miller, Branko Ruscic, Stephen J. Klippenstein

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

Understanding of the chemical processes that govern formation and destruction of nitrogen oxides (NOx) in combustion processes continues to be a challenge. Even though this area has been the subject of extensive research over the last four decades, there are still unresolved issues that may limit the accuracy of engineering calculations and thereby the potential of primary measures for NOx control. In this review our current understanding of the mechanisms that are responsible for combustion-generated nitrogen-containing air pollutants is discussed. The thermochemistry of the relevant nitrogen compounds is updated, using the Active Thermochemical Tables (ATcT) approach. Rate parameters for the key gas-phase reactions of the nitrogen species are surveyed, based on available information from experiments and high-level theory. The mechanisms for thermal and prompt-NO, for fuel-NO, and NO formation via NNH or N2O are discussed, along with the chemistry of NO removal processes such as reburning and Selective Non-Catalytic Reduction of NO. Each subset of the mechanism is evaluated against experimental data and the accuracy of modeling predictions is discussed.
Original languageEnglish
JournalProgress in Energy and Combustion Science
Volume67
Pages (from-to)31-68
ISSN0360-1285
DOIs
Publication statusPublished - 2018

Keywords

  • Fuel-NO
  • Kinetic model
  • Nitric oxide
  • Prompt-NO
  • Thermal NO

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