CECAM Workshop on
Statistical and Dynamical Aspects
of Surface Reactions:
Theory, Modelling and Experiments
Programme
Monday, 03/07/2000
Morning Session 9:30-12:30
Chair: Gregoire Nicolis
Opening
Ray Kapral:
Mesoscale dynamics of reaction-diffusion systems
Ronald Imbihl: Fluctuations in catalytic CO oxidation
20 minutes coffee break
Soeren Toxvaerd: Molecular Dynamics
simulations of chemical reactions in condensed fluids
Fabio Finocchi : First-principle electronic structure
calculations as a tool for modelling surface reactions
Afternoon Session: 14:30 - 18:00
Chair: Jean-Francois Gouyet
Norbert Kruse and Jean-Pierre Boon (2 talks): Adsorbate island
formation and dynamics
at nanoscale resolution: Experiments and Simulations
Christian Sachs : Reaction fronts in hydrogen oxidation on Pt(111);
modelling and
quantitative description of STM experiments
20 minutes coffee break
Gleb Oshanin : Landau-type mean-field theory of the
Langmuir-Hinshelwood reactions
between interacting particles on heterogeneous catalytic substrates
Thierry Visart de Bocarme :
In-situ dynamic study of hydrogen oxidation on rhodium
Tuesday, 04/07/2000
Morning Session 9:30-12:30
Chair: Katja Lindenberg
Alexander Blumen :
Simple reactions involving structured molecular systems: influence of the
internal dynamics
Igor Sokolov : Front propagation in one-dimensional
autocatalytic systems
20 minutes coffee break
Leonard Sander : Exact solution for front propagation
in a one-dimensional epidemic model
Enrique Abad : Lattice dynamics of the desorption reaction
A + A -> A + S: Role of diffusion
Fotis Vikas : A three-state model for reaction controlled
cooperative desorption on a one-dimensional lattice
Afternoon Session: 14:30 - 18:00
Chair: Leonard Sander
Peter Thormahlen: Simulations of the reaction kinetics on nanometer
supported catalyst particles
Tonek Jansen:
A dynamic Monte Carlo method for systems of any size?
20 minutes coffee break
Astero Provata : Chemical reactions on low dimensional
supports: The Lattice Limit Cycle Model
Discussion - Moderators: G. Nicolis and R. Imbihl
Bridging the gap between experiments and
simulations
Wednesday, 05/07/2000
Morning Session 9:30-12:30
Chair: Jim Evans
Lutz Shimansky-Geier : Stochastic simulations of
excitable dynamics with applications to
heterogeneous catalysis
Katja Lindenberg : Dimensional crossovers in A+B -> 0
reaction in tubular geometries
20 minutes coffee break
Francesc Sagues : Chemoconvection:
A fluid instability driven by a surface chemical reaction
Marc-Olivier Bernard : A mean-field kinetic lattice gas model of
electrodeposition
Afternoon Session 14:30-17:00
Chair: Ray Kapral
Jim Evans : Chemical Wave propagation in lattice-gas
models for surface reactions: Analysis of the hydrodynamic limit
Da-Jiang Liu : Ordering, percolation and diffusion
in a lattice gas model for co-oxidation with superlattice ordering of
oxygen
Concluding Remarks and Final Discussion