Modeling the cholesteric pitch of apolar cellulose nanocrystal suspensions using a chiral hard-bundle model.
J Chem Phys
MetadataShow full item record
Chiappini, M., Dussi, S., Frka-Petesic, B., Vignolini, S., & Dijkstra, M. (2022). Modeling the cholesteric pitch of apolar cellulose nanocrystal suspensions using a chiral hard-bundle model.. J Chem Phys https://doi.org/10.1063/5.0076123
Cellulose nanocrystals (CNCs) are naturally sourced elongated nanocolloids that form cholesteric phases in water and apolar solvents. It is well accepted that CNCs are made of bundles of crystalline microfibrils clustered side-by-side, and there is growing evidence that each individual microfibril is twisted. Yet, the origin of the chiral interactions between CNCs remains unclear. In this work, CNCs are described with a simple model of chiral hard splinters, enabling the prediction of the pitch using density functional theory and Monte Carlo simulations. The predicted pitch P compares well with experimental observations in cotton-based CNC dispersions in apolar solvents using surfactants but also with qualitative trends caused by fractionation or tip sonication in aqueous suspensions. These results suggest that the bundle shape induces an entropy-driven chiral interaction between CNCs, which is the missing link in explaining how chirality is transferred from the molecular scale of cellulose chains to the cholesteric order.
Is supplemented by: https://doi.org/10.17863/CAM.53675
BBSRC David Phillips fellowship [BB/K014617/1]. EPSRC [EP/K503757/1, EP/R511675/1].
Biotechnology and Biological Sciences Research Council (BB/K014617/1)
Engineering and Physical Sciences Research Council (EP/K503757/1)
Engineering and Physical Sciences Research Council (EP/R511675/1)
European Research Council (639088)
External DOI: https://doi.org/10.1063/5.0076123
This record's URL: https://www.repository.cam.ac.uk/handle/1810/331369
All Rights Reserved
Licence URL: http://www.rioxx.net/licenses/all-rights-reserved
Recommended or similar items
The current recommendation prototype on the Apollo Repository will be turned off on 03 February 2023. Although the pilot has been fruitful for both parties, the service provider IKVA is focusing on horizon scanning products and so the recommender service can no longer be supported. We recognise the importance of recommender services in supporting research discovery and are evaluating offerings from other service providers. If you would like to offer feedback on this decision please contact us on: email@example.com