Twisting in the hierarchical fibre structure and its effects on bound water

Authors :: Paajanen, Antti
Ceccherini, Sara
Maloney, Thaddeus
Ketoja, Jukka
Kouko, Jarmo
Lehto, Jani
Tuovinen, Tero
Source :: Paajanen, A, Ceccherini, S, Maloney, T & Ketoja, J 2020, Twisting in the hierarchical fibre structure and its effects on bound water . in J Kouko, J Lehto & T Tuovinen (eds), Progress in Paper Physics Seminar : Abstract book of the PPPS2020 seminar . VTT Technical Research Centre of Finland, VTT Technology, no. 378, pp. 165-168, Progress in Paper Physics Seminar, PPPS 2020, Jyväskylä, Finland, 1/09/20 . < https://publications.vtt.fi/pdf/technology/2020/T378.pdf >
Publication Year :: 2020
Publisher :: VTT Technical Research Centre of Finland, 2020.
Abstract: We have used molecular simulations to investigate the structure of a cellulose microfibril bundle, and evaluated the model against experimental evidence, including thermoporosimetry on the bound water of the fibre wall. Our simulations predict the spontaneous formation of a twisted ribbon-like bundle, the structure of which is in agreement with several experimental indicators. Specifically, the amount of freezing and non-freezing bound water are observed to correspond with molecular water layers surrounding the fibrils.

Subjects :: fibre
macrofibril
twist
microfibril
bound water
molecular dynamics

Language :: English
Database :: OpenAIRE
Journal :: Paajanen, A, Ceccherini, S, Maloney, T & Ketoja, J 2020, Twisting in the hierarchical fibre structure and its effects on bound water . in J Kouko, J Lehto & T Tuovinen (eds), Progress in Paper Physics Seminar : Abstract book of the PPPS2020 seminar . VTT Technical Research Centre of Finland, VTT Technology, no. 378, pp. 165-168, Progress in Paper Physics Seminar, PPPS 2020, Jyväskylä, Finland, 1/09/20 . < https://publications.vtt.fi/pdf/technology/2020/T378.pdf >
Accession number :: edsair.355e65625b88..0aea858cf42c54b526812627fd2bffbe

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