Molecular Dynamics Simulation of Polyacrylamide Adsorption on Cellulose Nanocrystals

Molecular Dynamics Simulation of Polyacrylamide Adsorption on Cellulose Nanocrystals

Classical molecular dynamics simulations of polyacrylamide (PAM) adsorption on cellulose nanocrystals (CNC) in a vacuum and a water environment are carried out to interpret the mechanism of the polymer interactions with CNC. The structural behavior of PAM is studied in terms of the radius of gyratio...

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Bibliographic Details
Main Authors: Darya Gurina, Oleg Surov, Marina Voronova, Anatoly Zakharov
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Nanomaterials
Subjects:
cellulose nanocrystals
polyacrylamide
adsorption
molecular dynamics
Online Access:https://www.mdpi.com/2079-4991/10/7/1256

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