2024
DOI: 10.1021/acs.macromol.4c00205
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Complex Smectic Phases in Polymer-Grafted Shape-Uniform Cellulose Nano-Crystals

William S. Fall,
Henricus H. Wensink

Abstract: The effect of short chain grafting on the liquid crystalline (LC) ordering of nanocrystals is investigated using molecular dynamics simulations of a coarse-grained grafted nanorod model. Monodisperse nanorods, with aspect ratios typical of cellulose nanocrystals (CNCs), are grafted randomly with oligomers at different grafting densities. LC ordering depends nontrivially on grafting density as the effective nanorod shape and softness are modified. Ungrafted rods exhibit Nematic and tilted Smectic-C phases. At 2… Show more

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