Equilibrium Charge Distribution on Annealed Polyelectrolytes

TL;DR

This study uses Monte Carlo simulations to analyze how charges distribute along an annealed polyelectrolyte chain in specific solvent conditions, confirming theoretical predictions with high accuracy.

Contribution

It provides a detailed simulation-based validation of theoretical models describing charge distribution on annealed polyelectrolytes.

Findings

Charge accumulates at chain ends within the Debye length.

Slight charge depletion occurs in the central chain region.

Simulation results agree quantitatively with theoretical predictions.

Abstract

Monte Carlo simulations are used to study the non-uniform equilibrium charge distribution along a single annealed polyelectrolyte chain under theta-solvent conditions and with added salt. Within a range of the order of the Debye length charge accumulates at chain ends while a slight charge depletion appears in the central part of the chain. The simulation results are compared with theoretical predictions recently given by Castelnovo et al. In the parameter range where the theory can be applied we find almost perfect quantitative agreement.