Impact of Activated Carbon Modification on the Ion Removal Efficiency in Flow Capacitive Deionization

Flow capacitive deionization (FCDI) technology holds significant promise for cost-effective and energy-efficient desalination; however, its practical application is hindered by limited electrode stability and desalination performance. In this study, we propose a novel composite strategy that combines chemical surface modification with surfactant-assisted dispersion to enhance electrode performance in FCDI systems. We observed that the dispersion stability and capacitance of the flow electrodes were significantly improved after oxidation (AC-O) or amination (AC-N) of activated carbon (AC). To further investigate the underlying ion adsorption mechanisms, we performed Density Functional Theory (DFT) simulations. The simulations revealed that oxidative modification (AC-O) enhances chloride ion adsorption through stronger electrostatic and van der Waals interactions, while amination (AC-N) is more effective for sodium ion adsorption. Subsequently, surfactants (sodium dodecyl sulfate, SDS; cetyltrimethylammonium bromide, CTAB) were used to prepare stable and high-performance flow electrodes. Electrochemical characterization and desalination tests in a 1000 mg·L−1 saline solution demonstrated that the AC-O/SDS composite exhibited excellent dispersion stability (>7 d) and significantly enhanced conductivity and specific capacitance, increasing by factors of 2.48 and 2.50, respectively, compared to unmodified AC. This optimized electrode achieved a desalination efficiency of 74.37% and a desalination rate of 6.2542 mg·L−1·min−1, outperforming the unmodified electrode by a factor of 5.72. Our findings provide a robust, sustainable approach for fabricating advanced flow electrodes and offer valuable insights into electrode structure optimization, opening new possibilities for the application of FCDI technology in water treatment and material sciences.