In this work, the adsorption of Triton X-100 (TX-100), a non-ionic surfactant, on graphene oxide (GO)-based adsorbents was considered, and the adsorption mechanism, bonding between TX-100 molecules and GO derivatives, kinetic, isotherm, and thermodynamic studies were investigated. The adsorbents were GO, reduced GO (rGO), GO-humic acid (GO-HA), and GO-saponin (GO-SA) and their surface area of them were 261.8, 304.1, 348.1, and 458.6 m2/g, respectively. The results showed that the optimum pH and contact time for TX-100 adsorption were 3 and 60 min, respectively. The most significant factor in the adsorption process was the surface chemistry of the adsorbent, which affect the bonds between the adsorbate and the adsorbent. In other words, the amount of H-bonding, which was related to the amount of oxygen-containing functional groups, played an important role in TX-100 adsorption. With the reduction of oxygen-containing functional groups, the possibility of π – π and π-cationic bonds increased, and the adsorption capacity was related to the amount of π-bonding. Also, it was concluded that the pore-filling occurred and increased the adsorption capacity in mesoporous adsorbents. The surface area of the adsorbent and the electrostatic charge of its surface did not affect the adsorption capacity.