Constant bond breakup probability model for reversible aggregation processes.
Reversible aggregation processes were simulated for systems of freely diffusing sticky particles. Reversibility was introduced by allowing that all bonds in the system may break with a given probability per time interval. In order to describe the kinetics of such aggregation-fragmentation processes, a fragmentation kernel was developed and then used together with the Brownian aggregation kernel for solving the corresponding kinetic master equation. The deduced fragmentation kernel considers a single characteristic lifetime for all bonds and accounts for the cluster morphology by averaging over all possible configurations for clusters of a given size. It became evident that the simulated cluster-size distributions could be described only when an additional fragmentation effectiveness was considered. Doing so, the stochastic solutions were in good agreement with the simulated data.
Odriozola
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G
Departamento de Química Física y Matemática, Facultad de Química, Universidad de la República, 11800 Montevideo, Uruguay.
Schmitt
A
A
Moncho-Jordá
A
A
Callejas-Fernández
J
J
Martínez-García
R
R
Leone
R
R
Hidalgo-Alvarez
R
R