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Water Effects on Molecular Adsorption of Poly(N-vinyl-2-pyrrolidone) on Cellulose Nanocrystals Surfaces: Molecular Dynamics Simulations

Models of interaction between a poly(N-vinyl-2-pyrrolidone) macromolecule and a fragment of I(β)-cellulose were built in a vacuum and water environment. The models were made to interpret the mechanism of interaction of the polymer and cellulose nanocrystals by the classical molecular dynamics method...

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Detalhes bibliográficos
Publicado no:Materials (Basel)
Main Authors: Gurina, Darya, Surov, Oleg, Voronova, Marina, Zakharov, Anatoly, Kiselev, Mikhail
Formato: Artigo
Idioma:Inglês
Publicado em: MDPI 2019
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6651292/
https://ncbi.nlm.nih.gov/pubmed/31277517
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ma12132155
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