PERSISTENT AROMATIC POLLUTANTS ARE WIDELY FOUND IN THE EFFLUENTS FROM THE PHARMACEUTICAL, PETROCHEMICAL, DYESTUFF, PESTICIDE, AND OTHER INDUSTRIES. PHENOLS ARE CLASS OF ORGANICS POLLUTANTS OF HIGH PRIORITY CONCERNS BECAUSE OF THEIR TOXICITY AND POSSIBLE ACCUMULATION IN THE ENVIRONMENT. THEY ARE CONSIDERED ONE OF THE PRIORITY POLLUTANTS IN WASTEWATER [1]. THE HIGH SURFACE AREA OF NANOMATERIALS BRINGS NEW PROSPECTS FOR THE MANAGEMENT OF ORGANIC POLLUTANTS, FOR EXAMPLE, CARBON NANOTUBES ARE FOUND TO WORK EFFECTIVELY TO REMOVE ORGANIC ContaminantS [2]. HETERO-JUNCTION CNTS IS A FORM OF CARBON NANOTUBES WITH CONNECTIONS OF TWO DIFFERENT TUBES. IN THIS STUDY, DYNAMICS OF removal PHENOL FROM WATER BY DIFFERENT DIAMETER ARMCHAIR HETEROJUNCTION CNTS ((4, 4), (5, 5), (6.6) CONNECTED TO THE (10, 10)) AND EACH UPTAKE TIME OF THEM HAVE BEEN STUDIES WITH MOLECULAR DYNAMICS SIMULATION. THE BEST RESULT FOR NANOTUBE WAS HIGH DIAMETER. GULP PROGRAM WITH REAXFF FORCE FIELD AND CANONICAL ENSEMBLE (NVT) WAS USED FOR SIMULATION MOLECULAR DYNAMICS.