The continuous exposure of the environment to carcinogenic wa s tes and toxic chlorophenols such as pentachlorophenol (PCP) and 2,4,6-trichlorophenol (TCP) resulting from indu s trial production activities has become a great concern to research scienti s ts and environmental policymakers. The search for a co s t-efficient and eco-friendly approach to the phytoremediation of water will guarantee su s tainability. The present research concerns the co s tbenefit evaluation and the optimization modeling of the competitive biosorption of PCP and TCP from aqueous solution to Cana indica. L (CiL-plant) using response surface methodology (RSM) , artificial neural network (ANN) model, and UV-Vis Spectrometry. The predictive performances of the ANN model and the RSM were compared based on their s tati s tical metrics. The antagoni s tic and synergetic effects of significant biosorption variables (pH, initial concentration, and exposure time) on biosorption were s tudied at p-values ≤0.005. The findings from the phytoremediation process confirmed that PCP and TCP removal rate reached equilibrium at the optimum conditions corresponding to predominantly acidic pH (4), required initial concentration of 50 mg L-1, and exposure time of 25 days in aquaponia. The optimized output transcends to PCP and TCP removal rates of 90% and 87.99% efficiencies at predicted r-squared ≤0.9999 and a 95% confidence interval. The co s t-benefit evaluation e s tablished that at the optimum conditions, the co s t of operating the removal of TCP from the aqueous solution would save $ 7.72 compared to PCP. The optimization model’s reliability based on the experiment’s (DoE) design was more su s tainable than the one-factorat- a-time (OFAT) methodologies reported in previous research.