Efficient Simulations of Charged Colloidal Dispersions: A Density Functional Approach
Efficient Simulations of Charged Colloidal Dispersions: A Density Functional Approach
复制标题
带电胶体分散体的有效模拟：密度泛函方法
DOI：
10.1002/mats.200400068
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发表时间：
2004
影响因子：
1.4
通讯作者：
R. Yamamoto
中科院分区：
文献类型：
--
作者：
Kang Kim;R. Yamamoto
提出了一种数值模拟电解质溶液中带电胶体分散体的方法。利用胶体-溶剂边界的平滑轮廓，使有效的介观模拟能够用于模拟表现出多体静电相互作用的许多胶体颗粒的分散体。简单的胶体几何形状的方法的有效性进行了检查，并证明了通过计算稳定的结构的二维分散体，从而导致形成胶体晶体的效率。
A numerical method is presented for simulating charged colloidal dispersions in electrolyte solutions. Utilizing a smoothed profile for colloid-solvent boundaries, efficient mesoscopic simulations are enabled for modeling dispersions of many colloidal particles exhibiting many-body electrostatic interactions. The validity of the method was examined for simple colloid geometries, and the efficiency was demonstrated by calculating stable structures of two-dimensional dispersions, which resulted in the formation of colloidal crystals.