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A simple model for simulation of particle deaggregation of few-particle aggregates

Erik Kaunisto (Institutionen för kemi- och bioteknik, Kemisk apparatteknik) ; Anders Rasmuson (Institutionen för kemi- och bioteknik, Kemisk apparatteknik) ; Johan Bergenholtz ; Johan Remmelgas ; Lennart Lindfors ; Staffan Folestad
AIChE Journal (0001-1541). Vol. 60 (2014), 5, p. 1863-1869.
[Artikel, refereegranskad vetenskaplig]

A proper mechanistic understanding of the deaggregation process of small colloidal particle aggregates is of generic importance within many fields of science and engineering. The methodology for modeling colloidal deaggregation is currently limited to analytical solutions in the two-particle case and time consuming numerical algorithms, such as Brownian Dynamics (BD) simulations, for many-particle aggregates. To address this issue, a simplified alternative model that describes deaggregation of few-particle aggregates is presented. The model includes end-particle deaggregation and a particle reconfiguration mechanism, which are the two most important mechanisms for deaggregation. Comparison of the calculated first passage time distribution for various two-, three-, four-, and five-particle aggregates with the corresponding result using BD simulations confirms the validity of the model. It is concluded that the dominating mechanism behind deaggregation can be quantified using a deaggregation number, which reflects the time scale for reconfiguration relative to the time scale for end-particle deaggregation.

Nyckelord: colloids, diffusion, peptization, clusters, DLVO, Brownian dynamics

Denna post skapades 2014-04-11. Senast ändrad 2015-12-17.
CPL Pubid: 196599


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Institutioner (Chalmers)

Institutionen för kemi- och bioteknik, Kemisk apparatteknik (2005-2014)
Institutionen för kemi och molekylärbiologi (GU)


Yt- och kolloidkemi
Statistisk mekanik
Yt- och kolloidkemi

Chalmers infrastruktur