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

Antti Paajanen; Sara Ceccherini; Thaddeus Maloney; Jukka Ketoja

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

Antti Paajanen^*, Sara Ceccherini, Thaddeus Maloney, Jukka Ketoja

^*Corresponding author for this work

Aalto University

Research output: Chapter in Book/Report/Conference proceeding › Conference article in proceedings › Scientific › peer-review

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.

Original language	English
Title of host publication	Progress in Paper Physics Seminar
Subtitle of host publication	Abstract book of the PPPS2020 seminar
Editors	Jarmo Kouko, Jani Lehto, Tero Tuovinen
Publisher	VTT Technical Research Centre of Finland
Pages	165-168
ISBN (Electronic)	978-951-38-8736-0
ISBN (Print)	978-951-38-8738-4
Publication status	Published - 1 Sept 2020
MoE publication type	A4 Article in a conference publication
Event	Progress in Paper Physics Seminar, PPPS 2020 - Jyväskylä, Finland Duration: 1 Sept 2020 → 3 Sept 2020

Publication series

Series	VTT Technology
Number	378
ISSN	2242-1211

Seminar

Seminar	Progress in Paper Physics Seminar, PPPS 2020
Abbreviated title	PPPS2020
Country/Territory	Finland
City	Jyväskylä
Period	1/09/20 → 3/09/20

Keywords

microfibril
macrofibril
fibre
twist
bound water
molecular dynamics

Access to Document

https://publications.vtt.fi/pdf/technology/2020/T378.pdf

Cite this

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 (pp. 165-168). VTT Technical Research Centre of Finland. https://publications.vtt.fi/pdf/technology/2020/T378.pdf

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title = "Twisting in the hierarchical fibre structure and its effects on bound water",

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.",

keywords = "microfibril, macrofibril, fibre, twist, bound water, molecular dynamics",

author = "Antti Paajanen and Sara Ceccherini and Thaddeus Maloney and Jukka Ketoja",

year = "2020",

month = sep,

day = "1",

language = "English",

isbn = "978-951-38-8738-4",

series = "VTT Technology",

publisher = "VTT Technical Research Centre of Finland",

number = "378",

pages = "165--168",

editor = "Jarmo Kouko and Jani Lehto and Tero Tuovinen",

booktitle = "Progress in Paper Physics Seminar",

address = "Finland",

note = "Progress in Paper Physics Seminar, PPPS 2020, PPPS2020 ; Conference date: 01-09-2020 Through 03-09-2020",

}

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>

Twisting in the hierarchical fibre structure and its effects on bound water. / Paajanen, Antti; Ceccherini, Sara; Maloney, Thaddeus et al.
Progress in Paper Physics Seminar: Abstract book of the PPPS2020 seminar. ed. / Jarmo Kouko; Jani Lehto; Tero Tuovinen. VTT Technical Research Centre of Finland, 2020. p. 165-168 (VTT Technology; No. 378).

Research output: Chapter in Book/Report/Conference proceeding › Conference article in proceedings › Scientific › peer-review

TY - GEN

T1 - Twisting in the hierarchical fibre structure and its effects on bound water

AU - Paajanen, Antti

AU - Ceccherini, Sara

AU - Maloney, Thaddeus

AU - Ketoja, Jukka

PY - 2020/9/1

Y1 - 2020/9/1

N2 - 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.

AB - 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.

KW - microfibril

KW - macrofibril

KW - fibre

KW - twist

KW - bound water

KW - molecular dynamics

UR - https://doi.org/10.32040/2242-122X.2020.T378

M3 - Conference article in proceedings

SN - 978-951-38-8738-4

T3 - VTT Technology

SP - 165

EP - 168

BT - Progress in Paper Physics Seminar

A2 - Kouko, Jarmo

A2 - Lehto, Jani

A2 - Tuovinen, Tero

PB - VTT Technical Research Centre of Finland

T2 - Progress in Paper Physics Seminar, PPPS 2020

Y2 - 1 September 2020 through 3 September 2020

ER -

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

Abstract

Publication series

Seminar

Keywords

Access to Document

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Progress in Paper Physics Seminar: Abstract book of the PPPS2020 seminar September 1-3, 2020 in Jyväskylä, Finland

Cite this