J. Gorecki et K. Kitahara, ON THE GROWTH OF NONEQUILIBRIUM SPATIAL CORRELATIONS IN A MODEL REACTION-DIFFUSION SYSTEM, Physica. A, 231(4), 1996, pp. 588-607
The mesoscopic description of a system with chemical reactions predict
s that if the detailed balance condition is not satisfied then the non
equilibrium spatial correlations between concentrations of reactants m
ay appear. The present work is concerned with the dynamics of their gr
owth. We assume that the system is homogeneous at the beginning and st
udy how fast the nonequilibrium correlations develop. The theory based
on the master equation is compared with molecular dynamics simulation
s performed for a model system of ''reacting'' hard spheres. The quali
tative characteristics of the growth of the spatial correlations, pred
icted by the theory based on a master equation, are confirmed in our s
imulations. However, this theory fails to give the correct quantitativ
e description of this process.