Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}

In this work we present a kinetic model for the NO + NH3 reaction on Pt{1 0 0}. The model is based upon theoretical and experimental findings that indicate that the dominant reaction pathway leading to NH3 decomposition is via direct abstraction of an H atom from adsorbed ammonia via adsorbed oxygen...

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Autores principales: Irurzun, I.M., Mola, E.E., Imbihl, R.
Formato: JOUR
Materias:
Catalysis
Kinetics
Mean-field
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_03010104_v323_n2-3_p295_Irurzun
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
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spelling todo:paper_03010104_v323_n2-3_p295_Irurzun2023-10-03T15:18:14Z Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0} Irurzun, I.M. Mola, E.E. Imbihl, R. Catalysis Kinetics Mean-field In this work we present a kinetic model for the NO + NH3 reaction on Pt{1 0 0}. The model is based upon theoretical and experimental findings that indicate that the dominant reaction pathway leading to NH3 decomposition is via direct abstraction of an H atom from adsorbed ammonia via adsorbed oxygen or OH. The temporal evolution of the dynamic defects that are created during the phase transition is also explicitly introduced in the model. The important role of the average concentration of defects has been shown in experiments of forcing on the NO + CO reaction on Pt{1 0 0}. In the present work we show that the role of such defects is also important in determining the characteristics of the oscillatory regime of the NO + NH3 reaction on Pt{1 0 0}. The predictions of the model agree with experimental results significantly better than previous mean-field models. © 2005 Elsevier B.V. All rights reserved. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_03010104_v323_n2-3_p295_Irurzun
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic Catalysis
Kinetics
Mean-field
spellingShingle Catalysis
Kinetics
Mean-field
Irurzun, I.M.
Mola, E.E.
Imbihl, R.
Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
topic_facet Catalysis
Kinetics
Mean-field
description In this work we present a kinetic model for the NO + NH3 reaction on Pt{1 0 0}. The model is based upon theoretical and experimental findings that indicate that the dominant reaction pathway leading to NH3 decomposition is via direct abstraction of an H atom from adsorbed ammonia via adsorbed oxygen or OH. The temporal evolution of the dynamic defects that are created during the phase transition is also explicitly introduced in the model. The important role of the average concentration of defects has been shown in experiments of forcing on the NO + CO reaction on Pt{1 0 0}. In the present work we show that the role of such defects is also important in determining the characteristics of the oscillatory regime of the NO + NH3 reaction on Pt{1 0 0}. The predictions of the model agree with experimental results significantly better than previous mean-field models. © 2005 Elsevier B.V. All rights reserved.
format JOUR
author Irurzun, I.M.
Mola, E.E.
Imbihl, R.
author_facet Irurzun, I.M.
Mola, E.E.
Imbihl, R.
author_sort Irurzun, I.M.
title Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
title_short Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
title_full Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
title_fullStr Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
title_full_unstemmed Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
title_sort mathematical modeling of the nh3 + no reaction on pt{1 0 0}
url http://hdl.handle.net/20.500.12110/paper_03010104_v323_n2-3_p295_Irurzun
work_keys_str_mv AT irurzunim mathematicalmodelingofthenh3noreactiononpt100
AT molaee mathematicalmodelingofthenh3noreactiononpt100
AT imbihlr mathematicalmodelingofthenh3noreactiononpt100
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