Abstract
Investigation of the parameters affecting the agglomeration process of nanoparticles and its morphology is a challenging research problem. In recent years, various computer simulation methods are developed to study the effect of different parameters on the process of agglomeration. This paper investigates the behavior of dry TiO2 nanoparticles in a three-dimensional periodic box. Simulations are performed using Discrete Element Method where contact force is modeled following the concept of Hertzian spring. Integrated van der Waals force is considered for the cohesion between particles. Thermal fluctuations to the nanoparticles are also accounted in the simulation. Morphological properties like porosity, coordination number and fractal dimension are used to characterize the agglomerate. Further, the impact of cohesiveness on the packing of agglomerate is investigated. Fractal dimension and coordination number saturate with the increase in cohesiveness of the system. Fractal dimension ranges between 1.60 − 1.80 validating the diffusion limited agglomeration regime of TiO2 nanoparticles. Correlation between porosity and cohesiveness could not be established with the performed simulations.
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