title: Implicit method for simulating electrohydrodynamics of polyelectrolytes.
abstract: We introduce a novel method to couple Lennard-Jones beads to a lattice-Boltzmann fluid by adding a term which represents the slip within the Debye layer with respect to the surrounding fluid. The method produces realistic electrophoretic dynamics of charged free chains, as well as the correct stall force in the limit of a thin Debye layer. Our simulations also demonstrate how a net-neutral polyampholyte can have a nonzero net force due to hydrodynamic interactions. This method represents an efficient way to simulate a wide variety of complex problems in electrohydrodynamics.
authors.affiliation: Institute for Computational Physics, Universität Stuttgart, Pfaffenwaldring 27, 70569 Stuttgart, Germany.
authors.forename: Owen A
authors.initials: OA
authors.lastname: Hickey
authors.forename: Christian
authors.initials: C
authors.lastname: Holm
authors.forename: James L
authors.initials: JL
authors.lastname: Harden
authors.forename: Gary W
authors.initials: GW
authors.lastname: Slater
mesh_terms: D004058:Diffusion; D004573:Electrolytes / Q000737:chemistry*; D004586:Electrophoresis; D057446:Hydrodynamics; D056004:Molecular Dynamics Simulation; D011108:Polymers / Q000737:chemistry*; D055672:Static Electricity
chemical_list: D004573:Electrolytes; D011108:Polymers