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The textile industry generates high liquid effluent volume that disrupts economic growth and ecological security. This research article aims to prepare corncob-activated carbon (CC-AC) for Acid Green 50 (AG50) toxic dye effective removal and to characterize the adsorbent by FTIR, SEM-EDX, TGA/DTG, pH_pzc, and Boehm surface functions. The maximum amount of adsorption, according to kinetic studies, was about 47.9 mg g⁻¹ under the adsorbent dose 1 g L⁻¹, [AG50]=50 mg L⁻¹, and pH 6.8. The experimental results of anionic dye AG50 adsorption on the CC-AC surface were in agreement with the response surface approach predicted values and resulted in an optimum removal rate of 95.03% at an adsorbent dose of 1 g L⁻¹, dye concentration of 10 mg L⁻¹, and pH 2. Density function theory (DFT) was used to perform quantum chemistry B3LYP6–31 G (d,p) computations to bind their electrical characteristics …