The presence of Congo red in wastewater poses significant environmental and health risks due to its toxic and carcinogenic properties. As a synthetic azo dye commonly used in the textile industry, Congo red is resistant to degradation, leading to persistent contamination in water bodies. The study focused on evaluating the efficacy of novel composite beads made from chitosan and graphene oxide as adsorbents for eliminating Congo Red from water solutions. It systematically examined various experimental factors including initial concentration, pH levels, mass of adsorbent, contact duration, and temperature, aiming to optimize the adsorption process. The composite chitosan graphene oxide beads were analyzed using several techniques, including Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) method for specific surface area determination. The study involved extracting chitosan from shrimp shells and synthesizing graphene oxide from graphite using the Hummers method to enhance Congo Red adsorption efficiency. Comprehensive analysis of the composite beads assessed their physical and functional properties using various techniques. X-ray diffraction and infrared analysis identified their adsorption capabilities, while SEM and BET analysis characterized the porous surface structure of the beads. Maximum adsorption efficiency of 169.49 mg/g was achieved with an adsorbent mass of 0.05 g at pH 3. Kinetic, isotherm, and thermodynamic studies indicated an endothermic process following pseudo-second-order kinetics and the Langmuir isotherm model. The high regression coefficient R 2=0.9953 indicates the strong validity of employing Response Surface Methodology combined with the Box-Behnken Design (RSM-BBD) for accurately predicting the percentage of CR removal through adsorption. Theoretical Density Functional Theory (DFT) analysis elucidated interactions between Congo Red and the reactive sites within the chitosan/graphene oxide beads, providing insights into the adsorption mechanism.