CECAM Workshop on
Statistical and Dynamical Aspects
of Surface Reactions:
Theory, Modelling and Experiments
July 3-5, 2000
Astero Provata
Institute of
Physical Chemistry
National Research Center "Demokritos"
15310 Athens, Greece
Florence Baras
Service de Chimie-Physique &
Center for Non-linear Phenomena and Complex Systems
Universite Libre de Bruxelles
1050 Brussels, Belgium
CECAM
Ecole Normale Superieure de Lyon,
46, Allee d'Italie,
69364 Lyon CEDEX 07 - FRANCE
Scientific Motivation
This workshop is the second one hosted by CECAM in the field of
Surface Reactions.
It is in the continuation of the one held in 1996 on
"Pattern formation in surface
reactions", organised by Prof. Leonard Sander.
Scientists working on surface reactions
from different points of view and backgrounds need to assess the
current status of the
research
on Surface Reactions, to determine problems that need to be attacked
theoretically,
numerically and experimentally and to determine
the best theoretical and numerical methods to be used for each particular case.
From the theoretical side, different approaches will be confronted ranging
from nonlinear mean-field
description (reaction-diffusion equations), to statistical mechanics (discrete
models) and to mesoscopic
modelling (stochastic methods and Monte Carlo simulations). Even more
striking are expected to be the
discussions between experimentalists and theoreticians in order to set up
precise goals and formulate
strategies. We hope also for a positive feedback in the understanding at
the microscopic level from polymer
physics (i.e. counting of microscopic configurations), quantum ab-initio
calculations (modelisation of
interaction potential, reactivity of the surface) and from the more
fundamental molecular dynamics
treatments.
During the discussions groups, we propose to address the
following specific topics:
- influence of anomalous transport mechanisms in restricted geometry
supports, fractal surfaces and
disordered media;
- nonlinear reactions and instabilities in low-dimension systems
(for instance segregation and
saturation versus bistability);
- role and implementation of lateral interactions between
adsorbates or between active sites,
-from the numerical point of view, the development of a new generation
of direct Monte Carlo methods
which may be useful in the
interpretation of experimental observations at the nanoscale;
- the bridging of length and time scales between the different
computational
approaches at the microscopic and mesoscopic level and the experimental
macroscopic results.
Other questions could emerge from presentations. The
final aim of this workshop is
that exchanges of ideas between experimentalists, theorists and modelers
will contribute essentially in the
development of the field of Surface Reactions.
To get more info contact:
Astero Provata
