NSTI BioNano 2010

Modeling Aggregation and Size Distribution of Nanoparticles with Monte Carlo Simulation

H. Liu, S. Surawanvijit, R. Rallo, G. Orkoulas, Y. Cohen
University of California, Los Angeles, US

Keywords: nanoparticle, aggregation, model, nanotechnology, particle size distribution, sedimentation


The size distribution of the nanoparticles and their aggregates is crucial for predictions of the fate and transport of nanoparticles in the environment. A computational model was developed in the present work based on a constant-number kinetic Monte Carlo simulation to predict the aggregation rate and size distribution of nanoparticles under various simulated environmental conditions. This study included the effects of sedimentation and adjusted for particle number density, both of which were not addressed in previous studies. Model performance compared favorably with experimental DLS data, demonstrating the potential of the present modeling approach for use in environmental analysis of the transport and fate of nanoparticles.
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