Journal of Nanoparticle Research

, Volume 13, Issue 12, pp 7209–7218 | Cite as

Aggregation modeling of calcium carbonate particles by Monte Carlo simulation

  • Kazunori Kadota
  • Takenobu Yamamoto
  • Atsuko Shimosaka
  • Yoshiyuki Shirakawa
  • Jusuke Hidaka
  • Masato Kouzu
Research Paper


The mechanism on aggregation of spindle granular particles of calcite was investigated for the carbonation of calcium hydroxide in aqueous suspension for the purpose of controlling morphology of CaCO3. The experimental carbonation process was carried out in a semi-batch bubble column reactor under different conditions. Although, fine rhombic nano-particles diameter ranged from 100 to 200 nm were obtained at 291 K, a higher temperature of 300 K provided spindle granular particles with a length of 1.0–1.5 μm and a width of 0.3–0.5 μm. The average crystallite size was 28 nm for the fine rhombic nano-particles and 43 nm for the spindle granules. Zeta potential measurement for the spindle granules indicated that the suspension tended to be aggregated during the carbonation process. The effect of the degree of particle aggregation on the shape of the obtained calcite particles was studied by Monte Carlo simulations. Our simulation results elucidated the dependence of aggregation on unit particles, i.e., primary particles, on the experiment carbonation condition where the spindle granules were formed out of the unit particles under the same condition as the experiments. In addition, the formation mechanism of the granules was investigated by applying classical nucleation theory to the present simulations.


Aggregation Calcite Calcium carbonate Monte Carlo simulation Spindle particles Nanoparticle nucleation 

Supplementary material

11051_2011_635_MOESM1_ESM.docx (74 kb)
Supplementary material 1 (DOCX 74 kb)


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Copyright information

© Springer Science+Business Media B.V. 2011

Authors and Affiliations

  • Kazunori Kadota
    • 1
  • Takenobu Yamamoto
    • 1
  • Atsuko Shimosaka
    • 1
  • Yoshiyuki Shirakawa
    • 1
  • Jusuke Hidaka
    • 1
  • Masato Kouzu
    • 1
  1. 1.Department of Chemical Engineering and Materials ScienceDoshisha UniversityKyotoJapan

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