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Population Balance Modeling of Aggregation and Coalescence in Colloidal Systems
Author(s) -
Kryven Ivan,
Lazzari Stefano,
Storti Giuseppe
Publication year - 2014
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201300140
Subject(s) - coalescence (physics) , fractal dimension , cluster (spacecraft) , population , statistical physics , population balance equation , chemical physics , fractal , colloid , colloidal particle , chemistry , biological system , physics , mathematics , mathematical analysis , computer science , demography , astrobiology , programming language , biology , sociology
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.