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. 2020 Jun 14;33(28):2001085. doi: 10.1002/adma.202001085

Figure 5.

Figure 5

Interactions between water and cellulose at the supramolecular scale. a) Overall effect of the cellulose crystallinity on the amount of bound water, in which the supramolecular disorganization of the disordered regions of the cellulose crystal (graphically represented in the illustration) accounts for a higher water binding per glucose units. Adapted with permission.[ 58 ] Copyright 1998, Elsevier. b) Schematic illustration of site‐specific water interactions as a function of the cellulose crystallographic planes and its higher order assemblies. The total water binding has a direct relationship with the surface area of the cellulose structure deriving from the amount of accessible hydroxyl groups, which decreases as a function of the hierarchical order in the assembly. Reproduced under the terms of the CC‐BY Creative Commons Attribution 4.0 International license (http://creativecommons.org/licenses/by/4.0/).[ 59 ] Copyright 2019, The Authors, published by Springer Nature. c–e) Molecular dynamic simulations of the wetting of water nanodroplets on the crystallographic planes of cellulose. In (c) the cellulose crystallography plane exposed to interactions (110) displays more accessible water binding sites and rougher features, resulting in high water wetting. In (d), the 100 crystallographic plane of the cellulose lattice does not favor wetting due to steric hindrance, which leads to buried water binding sites. e) Details of the conformation of water molecules on and around the cellulose molecules on the surface of the wetting site. In (e) the top part refers to the (110) plane shown in (c), whereas the bottom part refers to the (100) plane displayed in (d). c–e) Reproduced with permission.[ 49 ] Copyright 2020, Springer Nature.