Insights into glyphosate removal efficiency using a new 2D nanomaterial
Leila Razavi, Heidar Raissi, Farzaneh Farzad
Abstract
). The well-tempered metadynamics simulation is accomplished to find the free energy surface of the investigated systems. The free energy calculation for the SNS/GLY system indicates a stable point in which the distance of GLY from the SNS surface is 1.165 nm.
Topics & Concepts
MetadynamicsAdsorptionGlyphosateNanomaterialsPollutantChemistryEnvironmental chemistryMolecular dynamicsMaterials scienceNanotechnologyComputational chemistryPhysical chemistryOrganic chemistryEcologyBiologyPesticide and Herbicide Environmental StudiesPharmaceutical and Antibiotic Environmental ImpactsCarbon and Quantum Dots Applications