The role of NNH in NO formation and control

Stephen J. Klippenstein, Lawrence B. Harding, Peter Glarborg, James A. Miller

Research output: Contribution to journalJournal articleResearchpeer-review

1519 Downloads (Pure)

Abstract

One of the remaining issues in our understanding of nitrogen chemistry in combustion is the chemistry of NNH. This species is known as a key intermediate in Thermal DeNOx, where NH3 is used as a reducing agent for selective non-catalytic reduction of NO. In addition, NNH has been proposed to facilitate formation of NO from thermal fixation of molecular nitrogen through the so-called NNH mechanism. The importance of NNH for formation and reduction of NO depends on its thermal stability and its major consumption channels. In the present work, we study reactions on the NNH+O, NNH+O2, and NH2+O2 potential energy surfaces using methods previously developed by Miller, Klippenstein, Harding, and their co-workers. Their impact on Thermal DeNOx and the NNH mechanism for NO formation is investigated in detail.
Original languageEnglish
JournalCombustion and Flame
Volume158
Issue number4
Pages (from-to)774-789
ISSN0010-2180
DOIs
Publication statusPublished - 2011

Keywords

  • Ab initio calculations
  • Nitrogen chemistry
  • Chemical kinetics
  • Thermal DeNOx
  • NNH
  • Master equation

Fingerprint

Dive into the research topics of 'The role of NNH in NO formation and control'. Together they form a unique fingerprint.

Cite this