Influence of the Brownian step size in off-lattice Monte Carlo simulations of irreversible particle aggregation.
The influence of the Brownian step size in off-lattice Monte Carlo simulations of the aggregation and gelation of spheres is studied. It is found that the kinetics are strongly influenced if the step size is larger than the mean smallest distance between the sphere surfaces. The structure of the clusters and the gels is influenced, but only over length scales smaller than the step size. Using large step sizes leads to a narrower size distribution of the clusters. Implications of the present results are discussed for simulations reported in the literature in which the Brownian step size was chosen equal to the sphere diameter.
Rottereau
M
M
Polymères Colloïdes Interfaces, UMR6120 CNRS, Université du Maine, F-72085, Le Mans, France.
Gimel
J C
JC
Nicolai
T
T
Durand
D
D