Investigating the molecular-level thermodynamics and adsorption properties of per- and poly-fluoroalkyl substances
Gabriel D. Barbosa, C. Heath Turner
Topics & Concepts
AdsorptionSolvationPartition coefficientGrapheneMoleculeMolecular dynamicsChemistryHydrophobic effectForce field (fiction)ThermodynamicsPotential of mean forceOctanolChemical physicsMaterials scienceComputational chemistryPhysical chemistryOrganic chemistryNanotechnologyComputer scienceArtificial intelligencePhysicsPer- and polyfluoroalkyl substances researchCarbon Dioxide Capture TechnologiesInorganic Fluorides and Related Compounds