This study was conducted to investigate the removal efficiency of heptachlor from aqueous solutions using bimetallic iron/copper (Fe/Cu) nanoparticles. The highest removal efficiency of 99.3% for heptachlor compounds was achieved at pH 7.0, bimetallic Fe/Cu dosage 0.33 g/L, initial heptachlor concentration 2 µg/L, contact time 30 min, and stirring rate 250 rpm. The adsorption data of heptachlor fitted well to Koble-Corrigan isotherm and Avrami kinetic model. Artificial neural network r 2 : 0.9567) was more precise than the response surface methodology (r 2 : 0.774) in simulating the adsorption of heptachlor onto the bimetallic Fe/Cu nanoparticles. This study indicated that bimetallic Fe/Cu could be employed as an efficient adsorbent for the removal of heptachlor compound.