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Perfluorinated pollutants in water: Diffusion coefficient of perfluorosulfonic acids by molecular dynamics simulations

Guilherme Damião, Pedro Morgado, Pedro Silva, Luís F. G. Martins, Clare McCabe, Eduardo J. M. Filipe

2023Fluid Phase Equilibria26 citationsDOI

Topics & Concepts

ChemistryDilutionDiffusionArrhenius equationDispersion (optics)PollutantThermodynamicsMolecular dynamicsTaylor dispersionOrganic chemistryComputational chemistryActivation energyOpticsPhysicsPer- and polyfluoroalkyl substances researchCarbon Dioxide Capture TechnologiesAtmospheric chemistry and aerosols
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