The aim of study is removal of atenolol from aqueous solutions by multiwalled carbon nanotubes modified with ozone. The design of the experiment was adopted across four levels with the L16 matrix arrangement. The factors influencing atenolol adsorption include changes in the pH value, contact time, the dose of the modified multiwall carbon nanotube, and the initial concentration of atenolol in the solution; these factors were evaluated along with the extent of their influence on removal efficiency. Data analyses were performed by the Design Expert 6 software. The results indicated that the pH, contact time, adsorbent dose, and the initial concentration were 7, 20 min, 0.15 g/L and 1 mg/L, respectively. In this state, the removal efficiency was calculated to be 75.79%. The maximum adsorption capacity was obtained as 5.05 mg/g under optimal conditions. The data were analyzed using adsorption models obtained from the isotherm fitting tool software. The results suggested that the data had a greater congruence with the Freundlich model (corrected Akaike information criterion = 2.58). Furthermore, the kinetics of the reactions followed pseudo second order kinetics (R2 = 0.95). Based on this study, it can be concluded that modified multiwall carbon nanotubes enjoy high potential and efficiency as adsorbents for the removal of atenolol from aqueous solutions.