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Molecular Simulations and Mechanistic Analysis of the Effect of CO(2) Sorption on Thermodynamics, Structure, and Local Dynamics of Molten Atactic Polystyrene

[Image: see text] A simulation strategy encompassing different scales was applied to the systematic study of the effects of CO(2) uptake on the properties of atactic polystyrene (aPS) melts. The analysis accounted for the influence of temperature between 450 and 550 K, polymer molecular weights (M(w...

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Detalles Bibliográficos
Publicado en:Macromolecules
Main Authors: Ricci, Eleonora, Vergadou, Niki, Vogiatzis, Georgios G., De Angelis, Maria Grazia, Theodorou, Doros N.
Formato: Artigo
Idioma:Inglês
Publicado: American Chemical Society 2020
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8016389/
https://ncbi.nlm.nih.gov/pubmed/33828339
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.macromol.0c00323
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