Discrete solution of the electrokinetic equations

被引:88
作者
Capuani, F
Pagonabarraga, I
Frenkel, D
机构
[1] FOM, Inst Atom & Mol Phys, NL-1098 SJ Amsterdam, Netherlands
[2] Univ Barcelona, Dept Fis Fonamental, E-08028 Barcelona, Spain
关键词
D O I
10.1063/1.1760739
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We present a robust scheme for solving the electrokinetic equations. This goal is achieved by combining the lattice-Boltzmann method with a discrete solution of the convection-diffusion equation for the different charged and neutral species that compose the fluid. The method is based on identifying the elementary fluxes between nodes, which ensures the absence of spurious fluxes in equilibrium. We show how the model is suitable to study electro-osmotic flows. As an illustration, we show that, by introducing appropriate dynamic rules in the presence of solid interfaces, we can compute the sedimentation velocity (and hence the sedimentation potential) of a charged sphere. Our approach does not assume linearization of the Poisson-Boltzmann equation and allows us for a wide variation of the Peclet number. (C) 2004 American Institute of Physics.
引用
收藏
页码:973 / 986
页数:14
相关论文
共 23 条
  • [1] THE LATTICE BOLTZMANN-EQUATION - THEORY AND APPLICATIONS
    BENZI, R
    SUCCI, S
    VERGASSOLA, M
    [J]. PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS, 1992, 222 (03): : 145 - 197
  • [2] SEDIMENTATION POTENTIAL AND VELOCITY OF SOLID SPHERICAL PARTICLES
    BOOTH, F
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (12) : 1956 - 1968
  • [3] De Groot SP, 1984, NONEQUILIBRIUM THERM
  • [4] DNA-inspired electrostatics
    Gelbart, WM
    Bruinsma, RF
    Pincus, PA
    Parsegian, VA
    [J]. PHYSICS TODAY, 2000, 53 (09) : 38 - 44
  • [5] Electrostatic interactions in dissipative particle dynamics-simulation of polyelectrolytes and anionic surfactants
    Groot, RD
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2003, 118 (24) : 11265 - 11277
  • [6] Discrete lattice effects on the forcing term in the lattice Boltzmann method
    Guo, Zhaoli
    Zheng, Chuguang
    Shi, Baochang
    [J]. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2002, 65 (04): : 1 - 046308
  • [7] Hashimoto H., 1959, J FLUID MECH, V5, P317
  • [8] Holm C., 2001, ELECTROSTATIC EFFECT, Vvol 46
  • [9] Lattice-Boltzmann method for the simulation of transport phenomena in charged colloids
    Horbach, Jürgen
    Frenkel, Daan
    [J]. 2001, American Institute of Physics Inc. (64):
  • [10] ISRAELACHVILI JN, 1991, INTERMOLECULAR SURFA