Journal Article

Dipolar Brush Polymers: A Numerical Study of the Force Exerted onto a Penetrating Colloidal Particle Under an External Field

Cerrato, Antonio, Batle, Josep, Fuster-Aparisi, A., Cerdà, Joan Josep

2025

Overview

Langevin Dynamics numerical simulations have been used to compute the force profiles that dipolar polymer brushes exert onto a penetrating colloidal particle. It has been observed that force profiles are strongly influenced by externally applied fields: at large distances from the grafting surface, a force barrier appears, and at shorter distances a region with lower repulsive forces develops. Furthermore, with the right combination of polymer grafting density, polymer chain length and strength of the external field, it is possible to observe in this intermediate region both the existence of net attractive forces onto the penetrating particle and the emergence of a stationary point. The existence of these regions of low repulsive or net attractive forces inside the dipolar brushes, as well as their dependence on the different parameters of the system can be qualitatively reasoned in terms of a competition between steric repulsion forces and Kelvin forces arising from the dipolar mismatch between different regions of the system. The possibility to tune force profile features such as force barriers and stationary points via an external field paves the way for many potential surface–particle-related applications.

• Publisher: MDPI AG,MDPI
• Subject: Brushes / Grafting / Nanoparticles / Numerical analysis / Polymer industry / Polymers / Simulation