INVESTIGADORES
RAFTI Matias
artículos
Título:
Catalytic reduction of NO with NH3 on a Pt(100) surface: Monte Carlo simulations
Autor/es:
MATIAS RAFTI Y JOSE LUIS VICENTE
Revista:
PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS
Editorial:
American Physical Association
Referencias:
Lugar: Massachusets; Año: 2007 vol. 75 p. 611211 - 611217
ISSN:
1063-651X
Resumen:
We propose a surface reaction model for NO reduction with NH3 on a Pt100 single crystal catalyst surface
and we explore it by carrying out Monte Carlo simulations. Our model includes experimentally observed
realistic features such as adsorbate-induced surface phase transition, structure-dependent sticking coefficients
and reactivity, desorption probabilities, and surface diffusion of adsorbed species. We discuss similarities found
while comparing the available experimental data and our model as reactant ratio and temperature vary. Simulations
qualitatively reproduce the kinetic oscillations observed in reaction rates and surface coverages. Also,
the essential role of the adsorbate-induced phase transition regarding the appearance of kinetic oscillations is
discussed.
and we explore it by carrying out Monte Carlo simulations. Our model includes experimentally observed
realistic features such as adsorbate-induced surface phase transition, structure-dependent sticking coefficients
and reactivity, desorption probabilities, and surface diffusion of adsorbed species. We discuss similarities found
while comparing the available experimental data and our model as reactant ratio and temperature vary. Simulations
qualitatively reproduce the kinetic oscillations observed in reaction rates and surface coverages. Also,
the essential role of the adsorbate-induced phase transition regarding the appearance of kinetic oscillations is
discussed.
and we explore it by carrying out Monte Carlo simulations. Our model includes experimentally observed
realistic features such as adsorbate-induced surface phase transition, structure-dependent sticking coefficients
and reactivity, desorption probabilities, and surface diffusion of adsorbed species. We discuss similarities found
while comparing the available experimental data and our model as reactant ratio and temperature vary. Simulations
qualitatively reproduce the kinetic oscillations observed in reaction rates and surface coverages. Also,
the essential role of the adsorbate-induced phase transition regarding the appearance of kinetic oscillations is
discussed.
3 on a Pt100 single crystal catalyst surface
and we explore it by carrying out Monte Carlo simulations. Our model includes experimentally observed
realistic features such as adsorbate-induced surface phase transition, structure-dependent sticking coefficients
and reactivity, desorption probabilities, and surface diffusion of adsorbed species. We discuss similarities found
while comparing the available experimental data and our model as reactant ratio and temperature vary. Simulations
qualitatively reproduce the kinetic oscillations observed in reaction rates and surface coverages. Also,
the essential role of the adsorbate-induced phase transition regarding the appearance of kinetic oscillations is
discussed.