A Short Communication: Application of Molecular Dynamics Simulations in Wastewater and Water Treatment

This short communication presents a review of the applications of Molecular Dynamics (MD) simulations in wastewater and water treatment. MD simulations offer valuable insights into the molecular-level behavior of water molecules, contaminants, and treatment materials. The study focuses on contaminant removal, membrane filtration, and catalytic processes. Examples include the adsorption of heavy metal ions on graphene-based nanomaterials, the diffusion behavior of solutes in nanofiltration membranes, and the photocatalytic degradation of dyes on semiconductor surfaces. The findings demonstrate the significance of MD simulations in optimizing water treatment technologies for enhanced efficiency and sustainability. As computational capabilities advance, MD simulations will continue to drive innovation in the field, contributing to the quest for clean and safe water resources

کلیدواژه ها:

Molecular Dynamics Simulations ، Wastewater Treatment ، Water Treatment ، Contaminant Removal ، Membrane Filtration