Forschungszentrum Jülich, Helmholtz Institute Erlangen-Nürnberg for Renewable Energy (IEK-11), Fürther Straße 248, 90429 Nürnberg, Germany.
Department of Applied Physics, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands.
J Chem Phys. 2018 Apr 14;148(14):144101. doi: 10.1063/1.5020377.
A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a Bhatnagar-Gross-Krook collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute interactions are implemented using a pseudopotential model. The Nernst-Planck equation, describing the kinetics of dissolved ion species, is solved using a finite difference discretization based on the link-flux method. The colloids are resolved on the lattice and coupled to the hydrodynamics and electrokinetics through appropriate boundary conditions. We present the first full integration of these three elements. The model is validated by comparing with known analytic solutions of ionic distributions at fluid interfaces, dielectric droplet deformations, and the electrophoretic mobility of colloidal suspensions. Its possibilities are explored by considering various physical systems, such as breakup of charged and neutral droplets and colloidal dynamics at either planar or spherical fluid interfaces.
提出了一种用于解决胶体悬浮液在混合流体中电动现象的模型。我们使用格子玻尔兹曼方法求解具有 Bhatnagar-Gross-Krook 碰撞算子的离散玻尔兹曼方程，以模拟二元流体流动。溶剂-溶剂和溶剂-溶质相互作用采用赝势模型实现。描述溶解离子物种动力学的 Nernst-Planck 方程采用基于链接通量方法的有限差分离散化求解。胶体在格子上求解，并通过适当的边界条件与流体动力学和电动学耦合。我们首次完整地整合了这三个要素。该模型通过与流体界面处离子分布的已知解析解、介电液滴变形以及胶体悬浮液的电泳迁移率进行比较得到验证。通过考虑各种物理系统，如带电和中性液滴的破裂以及平面或球形流体界面处的胶体动力学，探索了该模型的可能性。
