Acetylation of Nanocellulose: Miscibility and Reinforcement Mechanisms in Polymer Nanocomposites.

ABSTRACT: The improvement of properties in nanocomposites obtained by topochemical surface modification, e.g., acetylation, of the nanoparticles is often ascribed to improved compatibility between the nanoparticle and the matrix. It is not always clear however what is intended: specific interactions at the interface leading to increased adhesion or the miscibility between the nanoparticle and the polymer. In this work, it is demonstrated that acetylation of cellulose nanocrystals greatly improves mechanical properties of their nanocomposites with polycaprolactone. In addition, molecular dynamics simulations with a combination of potential of mean force calculations and computational alchemy are employed to analyze the surface energies between the two components. The work of adhesion between t

SUBMITTER: Wohlert J 

PROVIDER: S-EPMC10811682 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature