The effect of functional groups on the glass transition temperature of atmospheric organic compounds: a molecular dynamics study
Panagiota Siachouli, Katerina S. Karadima, Vlasis G. Mavrantzas, Spyros Ν. Pandis
Abstract
Organic compounds constitute a substantial part of atmospheric particulate matter not only in terms of mass concentration but also in terms of distinct functional groups.
Topics & Concepts
Glass transitionParticulatesChemical physicsMolecular dynamicsChemistryTransition (genetics)Density functional theoryOrganic matterEnvironmental chemistryThermodynamicsMaterials scienceComputational chemistryOrganic chemistryPhysicsPolymerGeneBiochemistryGlass properties and applicationsAtmospheric chemistry and aerosolsAdsorption, diffusion, and thermodynamic properties of materials