A molecular dynamics study on aqueous solutions for preparation of hollow CaCO(3) particles

作者：Wang Xiaowei; Han Yongsheng; Lin Liwei; Fuji Masayoshi^*; Endo Takeshi; Watanabe Hideo; Takahashi Minoru

来源：Modelling and Simulation in Materials Science and Engineering, 2008, 16(3): 035006.

DOI：10.1088/0965-0393/16/3/035006

A novel approach named the bubble template method for the preparation of hollow particles has been put forward by our group. Molecular dynamics (MD) simulations have been carried out on aqueous solutions for the preparation of CaCO(3) by this method. Static structures and the dynamic behavior of ions in the solutions were investigated. The effect of different concentrations and the existence of hydroxyl ions on the structural and dynamical properties of the solution was analyzed. The MD simulation results present detailed information on the bulk solutions, which favor illuminating the formation mechanism of the bubble template method.

• 出版日期2008-4