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Unraveling Aging Processes by Molecular Dynamics in High Impact Polystyrene/Organoclay Nanocomposites using
Paulo Sergio Rangel Cruz DA Silva1, Maria Inês Bruno Tavares1
1Universidade Federal do Rio de Janeiro, Instituto de Macromoléculas Professora Eloisa Mano, Av. Horácio Macedo, 2030, Bloco J, Centro de Tecnologia, Ilha do Fundão, 21941-598 Rio de Janeiro, RJ, Brazil.
Abstract:
High-impact polystyrene (HIPS) nanocomposites containing organoclay were investigated under UV-accelerated aging using solid-state NMR to elucidate the evolution of molecular mobility and morphology. 13C CPMAS with variable contact time (VCT) and proton spin-lattice relaxation in the rotating frame (T₁ρH) sensitively captured the competition between chain scission and recombination across the nanocomposite films before and after exposure. The 1 wt% formulation predominantly displayed intercalated character with attenuated mobility changes upon aging, whereas 2-3 wt% systems showed heterogeneous and partially exfoliated morphologies with amplified mobility. While solid-state NMR does not directly detect microplastic particles, the relaxation signatures provide molecular-level evidence of fragmentation pathways with implications for potential microplastic formation.
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