Details
| Original language | English |
|---|---|
| Pages (from-to) | 295-303 |
| Number of pages | 9 |
| Journal | Chemical physics |
| Volume | 323 |
| Issue number | 2-3 |
| Early online date | 11 Oct 2005 |
| Publication status | Published - 21 Apr 2006 |
Abstract
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.
Keywords
- Catalysis, Kinetics, Mean-field
ASJC Scopus subject areas
- Physics and Astronomy(all)
- General Physics and Astronomy
- Chemistry(all)
- Physical and Theoretical Chemistry
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In: Chemical physics, Vol. 323, No. 2-3, 21.04.2006, p. 295-303.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Mathematical modeling of the NH3 + NO reaction on Pt{1 0 0}
AU - Irurzun, I. M.
AU - Mola, E. E.
AU - Imbihl, R.
N1 - Funding Information: This work was supportted by DAAD and Fundación Antorchas. E.E. Mola also acknowledges the financial support of Consejo de Investigaciones Científicas y Técnicas (CONICET), Comisión de Investigaciones Científicas de la Provincia de Buenos Aires (CIC), and Universidad Nacional de La Plata (UNLP).
PY - 2006/4/21
Y1 - 2006/4/21
N2 - 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.
AB - 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.
KW - Catalysis
KW - Kinetics
KW - Mean-field
UR - http://www.scopus.com/inward/record.url?scp=33646047140&partnerID=8YFLogxK
U2 - 10.1016/j.chemphys.2005.09.022
DO - 10.1016/j.chemphys.2005.09.022
M3 - Article
AN - SCOPUS:33646047140
VL - 323
SP - 295
EP - 303
JO - Chemical physics
JF - Chemical physics
SN - 0301-0104
IS - 2-3
ER -