Modeling the thermal DENOx process in flow reactors. Surface effects and Nitrous Oxide formation

Peter Glarborg*, Kim Dam‐Johansen, James A. Miller, Robert J. Kee, Michael E. Coltrin

*Corresponding author for this work

Research output: Contribution to journalJournal articleResearchpeer-review


We have investigated the impact of surface reactions such as NH3 decomposition and radical adsorption on quartz flow reactor data for Thermal DeNOx using a model that accounts for surface chemistry as well as molecular transport. Our calculations support experimental observations that surface effects are not important for experiments carried out in low surface to volume quartz reactors. The reaction mechanism for Thermal DeNOx has been revised in order to reflect recent experimental results. Among the important changes are a smaller chain branching ratio for the NH2 + NO reaction and a shorter NNH lifetime than previously used in modeling. The revised mechanism has been tested against a range of experimental flow reactor data for Thermal DeNOx with reasonable results. The formation of N2O in Thermal DeNOx has been modelled and calculations show good agreement with experimental data. The important reactions in formation and destruction of N2O have been identified. Our calculations indicate that N2O is formed primarily from the reaction between NH and NO, even though the NH2 + NO2 reaction possibly contributes at lower temperatures. At higher temperatures N2O concentrations are limited by thermal dissociation of N2O and by reaction with radicals, primarily OH. © 1994 John Wiley & Sons, Inc.

Original languageEnglish
JournalInternational Journal of Chemical Kinetics
Issue number4
Pages (from-to)421-436
Publication statusPublished - 1994


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