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- W4381952901 abstract "The prediction of nanoparticle agglomeration using population balance modelling is a difficult endeavour as continuously growing clusters undergo different collision regimes and exhibit complex, fractal-like structures. A key model parameter in this context is the collision kernel which governs the agglomeration dynamics within the particle population. In this work, we exploit a recently developed model for Brownian coagulation to solve the population balance equation for an initially monodisperse system of spherical nanoparticles in a quiescent gas. Since the model was originally developed for the limiting cases of ballistic and diffusive agglomeration, we incorporate a suitable interpolation scheme to extend the kernel expression to the more general transition regime. The results obtained from population balance calculations are validated by means of detailed Langevin Dynamics simulations where agglomerates and their individual trajectories are resolved. A comparison of agglomeration dynamics and evolving size distributions reveals strong agreement between the two approaches which corroborates the accuracy of the collision kernel model. In contrast, conventional models for the kernel are not able to reproduce the results from detailed Langevin Dynamics simulations as they noticeably underpredict the width of the agglomerate size distribution. Analysis of the agglomerates’ morphology distribution further reveals that fractal dimensions of clusters are normally distributed and can be characterized by a size-dependent mean value and standard deviation. We find, however, that the specifics of the morphology distribution do not need to be included in the kernel as omission causes only minor changes with respect to the collision dynamics. Using a size-dependent averaged fractal dimension is sufficient within PBE calculations." @default.
- W4381952901 created "2023-06-26" @default.
- W4381952901 creator A5010783829 @default.
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- W4381952901 date "2023-09-01" @default.
- W4381952901 modified "2023-10-01" @default.
- W4381952901 title "Modelling nanoparticle agglomeration in the transition regime: A comparison between detailed Langevin Dynamics and population balance calculations" @default.
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- W4381952901 doi "https://doi.org/10.1016/j.jaerosci.2023.106228" @default.
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