Unraveling Aging Processes by Molecular Dynamics in High Impact Polystyrene/Organoclay Nanocomposites using Solid-State NMR to understand the microplastics generation

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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Publication Details

Journal
Anais da Academia Brasileira de Ciências
Published
2025-01-01
DOI
https://doi.org/10.1590/0001-3765202520250484
Primary Topic
Polymer Nanocomposites and Properties
Type
article
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article

Unraveling Aging Processes by Molecular Dynamics in High Impact Polystyrene/Organoclay Nanocomposites using Solid-State NMR to understand the microplastics generation

Anais da Academia Brasileira de Ciências
Polymer Nanocomposites and Properties
article

Unraveling Aging Processes by Molecular Dynamics in High Impact Polystyrene/Organoclay Nanocomposites using Solid-State NMR to understand the microplastics generation

article en

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.

Anais da Academia Brasileira de CiênciasVol. 97(suppl 3)
Universidade Federal do Rio de Janeiro (BR)
Openalex Percentile: Top 63%
Polymer Nanocomposites and Properties
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