Modeling Colloidal Particle Aggregation Using Cluster Aggregation with Multiple Particle Interactions
Artikel i vetenskaplig tidskrift, 2024

In this study, we investigate the aggregation dynamics of colloidal silica by generating simulated structures and comparing them to experimental data gathered through scanning transmission electron microscopy (STEM). More specifically, diffusion-limited cluster aggregation and reaction-limited cluster aggregation models with different functions for the probability of particles sticking upon contact were used. Aside from using a constant sticking probability, the sticking probability was allowed to depend on the masses of the colliding clusters and on the number of particles close to the collision between clusters. The different models of the sticking probability were evaluated based on the goodness-of-fit of spatial summary statistics. Furthermore, the models were compared to the experimental data by calculating the structures’ fractal dimension and mass transport properties from simulations of flow and diffusion. The sticking probability, depending on the interaction with multiple particles close to the collision site, led to structures most similar to the STEM data.

Författare

Jakob Antonsson

Student vid Chalmers

Charlotte Hamngren Blomqvist

Institutionen för fysik, GU

Eva Olsson

Chalmers, Fysik, Nano- och biofysik

Tobias Gebäck

Chalmers, Matematiska vetenskaper, Tillämpad matematik och statistik

Aila Särkkä

Chalmers, Matematiska vetenskaper, Tillämpad matematik och statistik

Journal of Physical Chemistry B

1520-6106 (ISSN) 1520-5207 (eISSN)

Vol. 128 18 4513-4524

CoSiMa - koncept för digitaliserad utveckling av framtidens hållbara mjuka material

VINNOVA (2021-03665), 2021-11-22 -- 2025-01-31.

Ämneskategorier

Fysikalisk kemi

DOI

10.1021/acs.jpcb.3c07992

PubMed

38686494

Mer information

Senast uppdaterat

2024-06-18