- Population Balance Modeling of Aggregation and Coalescence in Colloidal Systems
- Macromolecular Theory and Simulations
- Volume | Issue number
- 23 | 3
- Pages (from-to)
- Document type
- Faculty of Science (FNWI)
- Van 't Hoff Institute for Molecular Sciences (HIMS)
A complex interplay between aggregation and coalescence occurs in many colloidal polymeric systems and determines the morphology of the final clusters of primary particles. To describe this process, a 2D population balance equation (PBE) based on cluster mass and fractal dimension is solved, employing a discretization method based on Gaussian basis functions. To prove the general reliability of the model and to show its potential, parametric simulations are performed employing both diffusion-limited-cluster aggregation (DLCA) and reaction-limited-cluster-aggregation (RLCA) kernels and different coalescence rates. It turns out that in both DLCA and RLCA regimes, a faster coalescence leads to smaller sized and more compact clusters, whereas a slow coalescence promotes the formation of highly reactive fractals, resulting in larger aggregates.
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