Exploring the adsorption of five emerging pollutants on activated carbon: A theoretical approach
Lisdelys González‐Rodríguez, Osvaldo Yáñez, Karel Mena Ulecia, Yoan Hidalgo‐Rosa, Ximena García- Carmona, Claudia Ulloa- Tesser
Topics & Concepts
AdsorptionChemistryGibbs free energyvan der Waals forceMolecular dynamicsDensity functional theoryComputational chemistryThermodynamicsMoleculePhysical chemistryOrganic chemistryPhysicsPharmaceutical and Antibiotic Environmental ImpactsAdsorption and biosorption for pollutant removalAnalytical chemistry methods development