2715 MCおよびMDシミュレーションによる紡錘状炭酸カルシウムの形態形成機構の検討(OS27.一般セッション(2),ポスターセッションP-5)

概要

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The formation mechanism of spindle CaCO_3 in a carbonation process was examined by using Molecular Dynamics simulation and Monte Carlo simulation. The results of the Molecular Dynamics simulation showed the different surface charge between several crystal faces. This difference causes the aggregation in the same direction, and it is important factor to form the spindle CaCO_3 particles. In Monte Carlo simulation, a model of the primary particle is cubic with the heterogeneous charge, the spindle shape clusters were formed by aggregation of the primary particles. Additionally, the aspect ratio approximately agrees with the experimental data. It can be concluded that the surface charge distribution and the primary particles shape were determinative factors to control the morphology of CaCO_3.
一般社団法人日本機械学会の論文
2007-11-25