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 regu-late 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 nano-cellulose. Our perspective also introduces the idea of water hydra-tion shells present immediate to the hydrophilic surface of the cellu-lose that can help articulate water chemistry and the challenges it presents during drying.

Automated summary

This article attempts to provide key insights into various aspects of water solvation through experimental and computational investigations. It suggests that water is not just a common solvent at the molecular level, but can also act as a co-reactant or induce organizational constraints to regulate chemical reactions. The focus is on understanding the stacking of putative water molecules around the three-dimensional network of cellulose, the most abundant biomaterial on Earth, and the impact of hydrogen bonding and water-cellulose molecular architecture on the morphology, properties, and chemical reactivity of micro- and nano-cellulose. The article also introduces the concept of water hydration shells near the hydrophilic surface of cellulose, which can help explain water chemistry and the challenges it poses during drying.