Volume 67, Number 6, September 2004
|Page(s)||900 - 906|
|Published online||01 September 2004|
Molecular-dynamics studies of annihilation reactions
Laboratoire de Recherches sur la Réactivité des Solides UMR 5613 CNRS-Université de Bourgogne 9 Avenue Alain Savary - BP 47870, F-21078 Dijon Cedex, France
2 Centre for Nonlinear Phenomena and Complex Systems Université Libre de Bruxelles, Campus Plaine - C.P. 231, B-1050 Brussels, Belgium
Accepted: 8 July 2004
The validity of the reaction-diffusion formulation of annihilation kinetics, with randomly distributed initial conditions, is investigated by molecular-dynamics simulations of dense hard-disk fluids. For the reaction quantitative agreement is found. Yet, this proves not to be the case for the reaction , where major discrepancies are observed. For this latter reaction, more sophisticated theories predict a logarithmic decay law of the form . The microscopic simulations essentially confirm this prediction.
PACS: 05.40.-a – Fluctuation phenomena, random processes, noise, and Brownian motion / 05.90.+m – Other topics in statistical physics, thermodynamics, and nonlinear dynamical systems / 82.20.Wt – Computational modeling; simulation
© EDP Sciences, 2004
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