Mathematical Modelling of NH3+NO reaction on Pt(100).

I. M. IRURZUN; E. E. MOLA; R. IMBIHL

CHEMICAL PHYSICS

Año: 2006 vol. 323 p. 295 - 303

0301-0104

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.