On the impact of aggregation mechanism in modelling fractal materials

Abstract

In this contribution, the diffusive and ballistic nature of aggregate-formation in colloidal-like materials will be discussed. To this end, diffusion-limited and reaction-limited algorithms together with their cluster-cluster aggregation extensions will be considered. While the aggregating particles in such algorithms follow natural Brownian motion, an additional algorithm accounting for the linear motion of particles will also be analysed. The effect of these algorithms on the final network’s structural and fractal properties will be presented. Furthermore, the application of the diffusion-limited cluster-cluster aggregation approach to model the sol-gel process in synthesising silica aerogels will be illustrated. The use of the finite element method in describing the mechanical properties of the generated model silica aerogels will be elucidated at the end [1]. References 1. Abdusalamov, R., Scherdel, C., Itskov, M., Milow, B., Reichenauer, G., & Rege, A. (2021). Modeling and Simulation of the Aggregation and the Structural and Mechanical Properties of Silica Aerogels. The Journal of Physical Chemistry B 125, 1944-1950.