The hydrophilic/hydrophobic nature of cellulose is based on its structural anisotropy. Cellulose chains are arranged in a parallel\r\nmanner and are organized in sheets stabilized by interchain OHââ?¬â??O hydrogen bonds, whereas the stacking of sheets is stabilized by\r\nboth van derWaals (vdW) dispersion forces and weak CHââ?¬â??O hydrogen bonds. Cellulose has a strong affinity to itself andmaterials\r\ncontaining hydroxyls, especiallywater. Based on the preponderance of hydroxyl functional groups, cellulose polymer is very reactive\r\nwith water. Water molecular smallness promotes the reaction with the cellulose chains and immediately formed hydrogen bonds.\r\nBesides that, vdW dispersion forces play an important role between these two reactive entities. They stabilize the cellulose structure\r\naccording to the considerable cohesive energy in the cellulose network. Hydrogen bonding, electrostatic interactions, and vdW\r\ndispersion forces play an important role in determining the cellulose crystal structure during the cellulose-water interactions. As a\r\nresult of these interactions, the volume of cellulose undergoes a meaningful change expressed not only by an exponential growth\r\nin amorphous regions, but also by an expansion in nanocrystalline regions. In addition, the volume change is associated with the\r\nswelling material expressed as a weight gain of the cellulose polymer.Molecular modeling using AccelrysMaterials Studio allowed\r\nus to open a new horizon and is helpful for understanding cellulose-water interactions.
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