Strict simulations of non-equilibrium dynamics of colloids
Strict simulations of non-equilibrium dynamics of colloids
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DOI：
10.1016/j.colsurfa.2007.08.041
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发表时间：
2007-12
期刊：
影响因子：
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通讯作者：
R. Yamamoto;Kang Kim;Y. Nakayama
中科院分区：
文献类型：
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作者：
R. Yamamoto;Kang Kim;Y. Nakayama
我们回顾了我们新的直接数值模拟方案，称为“光滑剖面（SP）方法”，该方法用于胶体分散体的完全显式时间行进模拟。SP方法通过光滑的胶体颗粒轮廓，为连续流体力学与刚体动力学的耦合提供了一种途径。我们的配方包括扩展到多组分溶剂中的胶体，例如电解质溶液中的带电胶体。该方法通过求解牛顿方程、平流-扩散方程和Navier-Stokes方程，使我们能够同时计算胶体粒子、离子和宿主流体的时间演化，从而充分考虑电-水动力耦合。计算了几种情况下带电球形粒子的电泳迁移率。与近似理论的比较表明，在没有任何经验参数的情况下，稀色散的定量一致。
We review our new direct numerical simulation scheme, called “smoothed profile (SP) method”, which is implemented for a full explicit time-marching simulations of colloidal dispersions. The SP method provides a way to couple continuum fluid dynamics with rigid-body dynamics through smoothed profile of colloidal particle. Our formulation includes extensions to colloids in multi-component solvents such as charged colloids in electrolyte solutions. This method enables us to compute the time evolutions of colloidal particles, ions, and host fluids simultaneously by solving Newton, advection–diffusion, and Navier–Stokes equations so that the electro-hydrodynamic couplings can be fully taken into account. The electrophoretic mobilities of charged spherical particles are calculated in several situations. The comparisons with approximation theories show quantitative agreements for dilute dispersions without any empirical parameters.