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Modelling the Formation of N2O and NO2 in the Thermal De-NOx Process

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Gas Phase Chemical Reaction Systems

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 61))

Abstract

We have formulated a chemical kinetic model for the Thermal De-NOx process that satisfactorily predicts the NO removed and the N2O and NO2 produced by the process over a range of temperatures and initial oxygen concentrations. The new feature of the mechanism is that NO2 appears as an essential intermediate in the reaction scheme. It is formed as a consequence of NNH reacting with molecular oxygen,

$$ \rm NNH+O_2\leftrightarrow N_2+HO_2 $$
$$ \rm HO_2+NO\leftrightarrow NO_2+OH, $$

and is converted back to NO by

$$ \rm NH_2+NO_2\leftrightarrow H_2NO+NO, $$

followed by H2NO ↔ HNO ↔ NO. Nitrous oxide is produced by two different reactions,

$$ \rm NH_2+NO_2\leftrightarrow N_2O+H_2O $$
$$ {\rm and}\ \ \ \ \ \ \ \ \rm NH+NO\leftrightarrow N_2O+H. $$

The first is the primary source at high oxygen concentrations and the second is dominant for low O2 levels. The branching fraction of the NH2 + NO reaction (i.e. the fraction that produces NNH + OH) used in the model is α = 7.08 × 10−4 T0.9, which above room temperature is somewhat higher than direct experimental determinations. The lifetime of NNH employed is τNNH = 10−7 sec, which is less than the upper limit set by experiment but still larger than the best theoretical prediction. All these points are discussed in detail.

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Author information

Authors and Affiliations

  1. Combustion Research Facility, Sandia National Laboratories, 94551-0969, Livermore, CA, USA

    J. A. Miller

  2. Department of Chemical Engineering, Technical University of Denmark, 2800, Lyngby, Denmark

    P. Glarborg

Authors
  1. J. A. Miller
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  2. P. Glarborg
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Editor information

Editors and Affiliations

  1. Physikalisch-Chemisches Institut, Universität Heidelberg, Im Neuenheimer Feld 253, D-69120, Heidelberg, Germany

    J. Wolfrum  & H.-R. Volpp  & 

  2. Institut für Angewandte Mathematik, Universität Heidelberg, Im Neuenheimer Feld 293, D-69120, Heidelberg, Germany

    R. Rannacher

  3. Interdisziplinäres Zentrum für Wissenschaftliches Rechnen, Universität Heidelberg, Im Neuenheimer Feld 368, D-69120, Heidelberg, Germany

    J. Warnatz

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© 1996 Springer-Verlag Berlin Heidelberg

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Miller, J.A., Glarborg, P. (1996). Modelling the Formation of N2O and NO2 in the Thermal De-NOx Process. In: Wolfrum, J., Volpp, HR., Rannacher, R., Warnatz, J. (eds) Gas Phase Chemical Reaction Systems. Springer Series in Chemical Physics, vol 61. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-80299-7_25

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  • DOI: https://doi.org/10.1007/978-3-642-80299-7_25

  • Publisher Name: Springer, Berlin, Heidelberg

  • Print ISBN: 978-3-642-80301-7

  • Online ISBN: 978-3-642-80299-7

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