Wetting of native and acetylated cellulose by water and organic liquids from atomistic simulations

Abstract Wetting of cellulose by different liquids is interesting from the point view processing cellulose-based nanomaterials. Here, contact angles formed water and several organic on both native acetylated were calculated molecular dynamics simulations. It was found that liquid surface tension crucial for their wetting behavior. Acetylation decreases work adhesion to most investigated, even non-polar ones, while others are not affected. Water has highest affinity cellulose, acetylated. The results have implications infiltration nanocellulose networks interaction with in general.