Structure of Polymer-Grafted Nanocellulose in the Colloidal Dispersion System.

Clarifying the primary structure of nanomaterials is invaluable to understand how the nanostructures lead to macroscopic material functions. Nanocellulose is attracting attention as a sustainable building block in materials science. The surface of nanocellulose is often chemically modified by polymer grafting to tune the material properties, such as the viscoelastic properties in rheology modifiers and the reinforcement effect in composites. However, the structure, such as molecular conformation of the grafted polymer and the twist of the core nanocellulose, is not well understood. Here, we investigated the structure of polymer-grafted nanocellulose in the colloidal dispersion system by combining small-angle X-ray scattering measurement and all-atom molecular dynamics simulation. We demonstrated formation of the polymer brush layer on the nanocellulose surface in solvents, which explains the excellent colloidal stability. We also found that twisting of the nanocellulose in the core is suppressed by the existence of the polymer brush layer.