Using MD simulations, the study explored the effects of polymer configuration, concentration, and salt concentration on ion adsorption and system performance. The results revealed that NO - 3 ions exhibit strong adsorption to the charged polymers, displacing Cl -ions into the bulk solution. Importantly, polymer configuration emerged as a critical determinant of performance, with optimal configurations enhancing ion selectivity and adsorption efficiency. As the concentration of the polymer and the concentration of the salt varied, the results demonstrated that system-specific polymer properties could achieve a delicate balance between NO - 3 ion adsorption and Cl -ion exclusion. Under the application of an electric potential, anions were strongly attracted to the positive electrode, with NO - 3 ions preferentially remaining closer to the surface. This selective ion behavior, combined with the filtration capabilities of the RO membrane, enabled salt rejection efficiencies ranging from 78% to 100%, demonstrating the significant enhancements achievable through hybrid systems.