Computational and experimental insights into the molecular architecture of water-cellulose networks

The current perspective attempts to provide key insights into several major aspects of water solvation supported by several experimental and computational investigations. It is postulated that water is not just a common solvent from the framework of the molecular level, but in fact can play the role of a co-reactant or induce an “organizational constraint” (e.g., crystallization) to regulate the rate of chemical reactions. The focus of our perspective is to provide insight into these phenomena; we will cast our net toward the formation of putative water molecules' stacking around the three-dimensional network of the cellulose, the most abundant biomaterial on the planet, which is further mitigated by hydrogen bonding and water-cellulose molecular architecture on the morphology, properties, and chemical reactivity of micro- and nanocellulose. Our perspective also introduces the idea of water hydration shells present immediate to the hydrophilic surface of the cellulose that can help articulate water chemistry and the challenges it presents during drying.