Abstract
Phenol is classified as one of the environmental pollutants and is found in the wastewaters of various industries such as petroleum industry, paint and chemical industries, oil refining and textile industries. High concentrations of this substance are harmful to human health and can cause adverse cardiac and neurological effects. Therefore, it seems necessary to eliminate this material from industrial wastewater, although their elimination requires the use of new methods. In this regard, in this work, two-dimensional adsorbents have been used to remove phenol from the aqueous environment. To do this, the ability to simulate molecular dynamics in investigating the interactions of phenol molecules and 4 transition metal dichalcogenides (TMDs)v Used. CdS2 had the largest level of interaction with phenol molecules and had the greatest effect in removing phenol from the aqueous environment. The results obtained from this work have provided new materials to remove phenol from the wastewater petroleum industry and can facilitate the widespread use of these materials in industrial petroleum wastewater treatment.