Molecular-dynamics studies of annihilation reactions

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2004 EDP Sciences
, , Citation F. Baras et al 2004 EPL 67 900 DOI 10.1209/epl/i2004-10143-4

0295-5075/67/6/900

Abstract

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 A + BC + C quantitative agreement is found. Yet, this proves not to be the case for the reaction A + AC + C, where major discrepancies are observed. For this latter reaction, more sophisticated theories predict a logarithmic decay law of the form ln (t)/t. The microscopic simulations essentially confirm this prediction.

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10.1209/epl/i2004-10143-4