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Effects of Electrostatic Coupling and Surface Polarization on Polyelectrolyte Brush Structure by Igor M. Telles; Muhammad Arfan; Alexandre P. dos Santos is a Physics and Astronomy article available to read on EtoBox.

What is Effects of Electrostatic Coupling and Surface Polarization on Polyelectrolyte Brush Structure about?

In this work, we perform molecular dynamics simulations to study a spherical polyelectrolyte brush. We explore the effects of surface polarization and electrostatic coupling on brush size and distribution of counterions. The method of image charges is considered to take into account surface polarization, considering a metallic, an unpolarizable, and a dielectric nano-core. It is observed that, for all cases, a moderate shrinking–swelling effect appears with an increase in the electrostatic coupling parameter. This effect occurs under high Manning ratios. The curves relating the average size of polyelectrolyte brush as a function of coupling show a minimum. The results show that the grafting density of polyelectrolytes on the nano-core surface plays an important role in the polarization effect. We consider a modified Poisson–Boltzmann theory to describe the counterion profiles around the brush in the case of unpolarizable nano-cores and weak electrostatic coupling.

Who reads Effects of Electrostatic Coupling and Surface Polarization on Polyelectrolyte Brush Structure?

Author

Igor M. Telles; Muhammad Arfan; Alexandre P. dos Santos

Publisher

AIP Publishing

Published

2023

Language

EN

Field

Physics and Astronomy (Physical Sciences)