Effect of dielectric discontinuity on a spherical polyelectrolyte brush
arXiv:1801.03661 · doi:10.1063/1.5002526
Abstract
In this paper we perform molecular dynamics simulations of a spherical polyelectrolyte brush and counterions in a salt-free medium. The dielectric discontinuity on the grafted nanoparticle surface is taken into account by the method of image charges. Properties of the polyelectrolyte brush are obtained for different parameters, including valency of the counterions, radius of the nanoparticle, and the brush total charge. The monovalent counterions density profiles are obtained and compared with a simple mean-field theoretical approach. The theory allows us to obtain osmotic properties of the system.
References in corpus (7)
- Electrostatic correlations: from Plasma to Biology
- Image charges in spherical geometry: Application to colloidal systems
- Simulation of Charged Systems in Heterogeneous Dielectric Media via a True Energy Functional
- Weak and Strong Coupling Theories for Polarizable Colloids and Nano-Particles
- A variational formulation of electrostatics in a medium with spatially varying dielectric permittivity
- Heterogeneous morphology and dynamics of polyelectrolyte brush condensates in trivalent counterion solution
- Simulations of Polyelectrolyte Adsorption to a Dielectric Like-Charged Surface