Abstract
The treatment of industrial wastewaters, especially petroleum wastewaters, has high environmental importance. In addition, in countries that suffer from water shortages, the recycling of wastewater is doubly important. Refineries are one of the centers that consume a lot of water, and if the industrial units do not pay attention to the preservation of the environment in their plan and operation, in expansion to the natural issues related to discuss and soil contamination, they too cause surface, and underground water contamination. In this regard, it seems necessary to use appropriate methods to remove toxic substances such as phenol from wastewater. Therefore, in this project, the adsorption prepare of phenol on the surface of a few transition-metal dichalcogenide (TMDs) has been examined utilizing molecular dynamics simulation. According to obtained results, CdSe2 is presenting as the leading adsorbent by having the most interaction with phenol molecules and also the adsorption stability. The results obtained from this work can pave the way for the use of TMDs in the treatment of petroleum wastewaters especially in Saudi Arabia.