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Monte Carlo simulation for morphology of nanoparticles and particle size distributions: comparison of the cluster–cluster aggregation model with the sectional method

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Abstract

This study presents the validity and ability of an aggregate mean free path cluster–cluster aggregation (AMP-CCA) model, which is a direct Monte Carlo simulation, to predict the aggregate morphology with diameters form about 15–200 nm by comparing the particle size distributions (PSDs) with the results of the previous stochastic approach. The PSDs calculated by the AMP-CCA model with the calculated aggregate as a coalesced spherical particle are in reasonable agreement with the results of the previous stochastic model regardless of the initial number concentration of particles. The shape analysis using two methods, perimeter fractal dimension and the shape categories, has demonstrated that the aggregate structures become complex with increasing the initial number concentration of particles. The AMP-CCA model provides a useful tool to calculate the aggregate morphology and PSD with reasonable accuracy.

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Authors and Affiliations

  1. Department of Chemical Engineering, Graduate School of Engineering, Tohoku University, 6-6-07 Aoba, Aramaki, Aoba-ku, Sendai, Miyagi, 980-8579, Japan

    Kiminori Ono, Yoshiya Matsukawa, Yasuhiro Saito, Yohsuke Matsushita & Hideyuki Aoki

  2. ASAHI CARBON CO., LTD., 2 Kamomejima-cho, Higashi-ku, Niigata, 950-0883, Japan

    Koki Era, Takayuki Aoki & Togo Yamaguchi

Authors
  1. Kiminori Ono
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  2. Yoshiya Matsukawa
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  3. Yasuhiro Saito
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  4. Yohsuke Matsushita
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  5. Hideyuki Aoki
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  6. Koki Era
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  7. Takayuki Aoki
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  8. Togo Yamaguchi
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Correspondence to Kiminori Ono.

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Ono, K., Matsukawa, Y., Saito, Y. et al. Monte Carlo simulation for morphology of nanoparticles and particle size distributions: comparison of the cluster–cluster aggregation model with the sectional method. J Nanopart Res 17, 242 (2015). https://doi.org/10.1007/s11051-015-3049-7

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  • DOI: https://doi.org/10.1007/s11051-015-3049-7

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