Molecular Mechanism of Moisture-Induced Transition in Amorphous Cellulose

We investigate the influence of adsorbed water on amorphous cellulose structure and properties, within the full range of moisture content from the dry state to saturation, by molecular dynamics simulation. Increasing water content results in overall swelling, a substantial decrease in stiffness, and higher diffusivity of the water molecules. The obtained sorption curve as well as the range of swelling and weakening are confirmed by experiments....