Simulated Reversible Aggregation Processes for Different Interparticle Potentials: The Cluster Aging Phenomenon

Abstract

The kinetics of reversible 3D aggregation processes was studied for different interparticle potentials by means of simulations. In previous work (Phys. ReV. E 2002, 65, 031405), 1 freely diffusing particles were considered that aggregate whenever a collision occurs but disintegrate only with a single given breakup probability. The DLVO theory, however, predicts also interparticle potentials showing two minima of different depths separated by an energetic barrier. Hence, two different kind of bonds, primary and secondary ones, can be formed and should be treated separately. In the present work, this behavior was implemented by considering bonds with different breakup probabilities. The data obtained from simulations were compared with the stochastic solutions of the corresponding master equation. For this purpose, the Brownian kernel was employed together with novel fragmentation kernels. The agreement between the simulations and the kinetic description was found to be quite satisfactory. Moreover, studying the time evolution of the bond population showed that cluster aging appears as a natural consequence of the employed model.

Hard ellipsoids: Analytically approaching the exact overlap distance

“…Hence, we may obtain the next swap trial move from n t = − ln(ξ)/P s , with ξ being a random number uniformly distributed in the interval (0, 1) [35,36]. We set all ellipsoids of a given replica to have the same a priori probability of being selected to perform a displacement or a rotational trial.…”

Electrostatic heteroaggregation regimes in colloidal suspensions

“…Single-cluster light-scattering (SCLS) has been successfully used by several authors for obtaining cluster-size distributions in homoaggregation experiments [53,[72][73][74][75]. Nevertheless, SCLS has not been used for monitoring the CSDs in arising in heteroaggregation until very recently.…”

“…Although a complete agreement is not achieved, we hope to have brought some light on this topic. Details about the stochastic algorithm used for solving the coagulation equation can be found in [85].…”

Irreversible versus reversible aggregation: Mean field theory and experiments

“…11 although Eq. The additional right-hand term accounts for those changes in the bound population that leave the cluster-size distribution unaltered.…”