Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations

D. Vidal, Ahmad Al-Qararah, Jukka Ketoja, T. Uesaka

Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

Abstract

Nano-cellulose fibres in suspension/gel states are known to have complex structures, depending on e.g. concentration and ionic strength. These complex structures pose both opportunity and challenges: creating novel functional structures is challenged by difficult rheology and processability of NFC suspensions. To better assess the chemical and rheological impacts on the formation of nano-cellulose structures, we propose a novel particle-based method based on smoothed dissipative particle hydrodynamics. This numerical approach treats both fluid and solid phases in a unified way. Both fluid and solid phases are described as a set of particles exchanging momentum and/or interacting through Derjaguin-Landau-Verwey-Overbeek (DLVO) potentials. Additionally, nano-cellulose fibres are represented as strings of solid particles connected through extensional/bending springs. Brownian motion is also accounted for as a dissipative term. We used this model to simulate the micro rheology of NFC suspensions The simulations were carried out for the Couette geometry in a gap of the order of one micrometer. The goal was to determine the effect of various properties of cellulose nanofibre and its interaction strength on forming micro flocs and on local viscosity. The parametric effects on micro scale are expected to reflect in the observed macroscopic flow behavior as this behavior depends critically on the local aggregation dynamics. In the simulations with very large shear rates, floc formation takes place rapidly for all studied parameter combinations. Moreover, due to slippage, local shear rate becomes higher close to the walls than on average. Thus, the effective viscosity has higher value in the central region of the flow compared to the boundary regions. As to the varied parameters, fibril geometry (especially length) and suspension concentration appear to have much stronger effects on floc formation and viscosity than fibril interaction (double layer thickness) or bending stiffness.
Original languageEnglish
Title of host publicationProceedings
Subtitle of host publicationTappi International Conference on Nanotechnology for Renewable Materials 2013
PublisherTAPPI Press
Pages630-639
ISBN (Print)978-1-5108-1568-1
Publication statusPublished - 2013
MoE publication typeNot Eligible
Event2013 Tappi International Conference on Nanotechnology for Renewable Materials - Stockholm, Sweden
Duration: 24 Jun 201327 Jun 2013

Conference

Conference2013 Tappi International Conference on Nanotechnology for Renewable Materials
CountrySweden
CityStockholm
Period24/06/1327/06/13

Fingerprint

Rheology
Particles (particulate matter)
Cellulose
Hydrodynamics
Viscosity
Shear deformation
Fluids
Geometry
Fibers
Brownian movement
Nanofibers
Ionic strength
Momentum
Gels
Agglomeration
Stiffness

Keywords

  • nanocellulose
  • fibre
  • suspension
  • rheology
  • simulation

Cite this

Vidal, D., Al-Qararah, A., Ketoja, J., & Uesaka, T. (2013). Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations. In Proceedings: Tappi International Conference on Nanotechnology for Renewable Materials 2013 (pp. 630-639). TAPPI Press.
Vidal, D. ; Al-Qararah, Ahmad ; Ketoja, Jukka ; Uesaka, T. / Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations. Proceedings: Tappi International Conference on Nanotechnology for Renewable Materials 2013. TAPPI Press, 2013. pp. 630-639
@inproceedings{3d810285356b4d85bacc634f7cc570ac,
title = "Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations",
abstract = "Nano-cellulose fibres in suspension/gel states are known to have complex structures, depending on e.g. concentration and ionic strength. These complex structures pose both opportunity and challenges: creating novel functional structures is challenged by difficult rheology and processability of NFC suspensions. To better assess the chemical and rheological impacts on the formation of nano-cellulose structures, we propose a novel particle-based method based on smoothed dissipative particle hydrodynamics. This numerical approach treats both fluid and solid phases in a unified way. Both fluid and solid phases are described as a set of particles exchanging momentum and/or interacting through Derjaguin-Landau-Verwey-Overbeek (DLVO) potentials. Additionally, nano-cellulose fibres are represented as strings of solid particles connected through extensional/bending springs. Brownian motion is also accounted for as a dissipative term. We used this model to simulate the micro rheology of NFC suspensions The simulations were carried out for the Couette geometry in a gap of the order of one micrometer. The goal was to determine the effect of various properties of cellulose nanofibre and its interaction strength on forming micro flocs and on local viscosity. The parametric effects on micro scale are expected to reflect in the observed macroscopic flow behavior as this behavior depends critically on the local aggregation dynamics. In the simulations with very large shear rates, floc formation takes place rapidly for all studied parameter combinations. Moreover, due to slippage, local shear rate becomes higher close to the walls than on average. Thus, the effective viscosity has higher value in the central region of the flow compared to the boundary regions. As to the varied parameters, fibril geometry (especially length) and suspension concentration appear to have much stronger effects on floc formation and viscosity than fibril interaction (double layer thickness) or bending stiffness.",
keywords = "nanocellulose, fibre, suspension, rheology, simulation",
author = "D. Vidal and Ahmad Al-Qararah and Jukka Ketoja and T. Uesaka",
note = "Project code: 73363",
year = "2013",
language = "English",
isbn = "978-1-5108-1568-1",
pages = "630--639",
booktitle = "Proceedings",
publisher = "TAPPI Press",
address = "United States",

}

Vidal, D, Al-Qararah, A, Ketoja, J & Uesaka, T 2013, Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations. in Proceedings: Tappi International Conference on Nanotechnology for Renewable Materials 2013. TAPPI Press, pp. 630-639, 2013 Tappi International Conference on Nanotechnology for Renewable Materials, Stockholm, Sweden, 24/06/13.

Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations. / Vidal, D.; Al-Qararah, Ahmad; Ketoja, Jukka; Uesaka, T.

Proceedings: Tappi International Conference on Nanotechnology for Renewable Materials 2013. TAPPI Press, 2013. p. 630-639.

Research output: Chapter in Book/Report/Conference proceedingConference article in proceedingsScientificpeer-review

TY - GEN

T1 - Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations

AU - Vidal, D.

AU - Al-Qararah, Ahmad

AU - Ketoja, Jukka

AU - Uesaka, T.

N1 - Project code: 73363

PY - 2013

Y1 - 2013

N2 - Nano-cellulose fibres in suspension/gel states are known to have complex structures, depending on e.g. concentration and ionic strength. These complex structures pose both opportunity and challenges: creating novel functional structures is challenged by difficult rheology and processability of NFC suspensions. To better assess the chemical and rheological impacts on the formation of nano-cellulose structures, we propose a novel particle-based method based on smoothed dissipative particle hydrodynamics. This numerical approach treats both fluid and solid phases in a unified way. Both fluid and solid phases are described as a set of particles exchanging momentum and/or interacting through Derjaguin-Landau-Verwey-Overbeek (DLVO) potentials. Additionally, nano-cellulose fibres are represented as strings of solid particles connected through extensional/bending springs. Brownian motion is also accounted for as a dissipative term. We used this model to simulate the micro rheology of NFC suspensions The simulations were carried out for the Couette geometry in a gap of the order of one micrometer. The goal was to determine the effect of various properties of cellulose nanofibre and its interaction strength on forming micro flocs and on local viscosity. The parametric effects on micro scale are expected to reflect in the observed macroscopic flow behavior as this behavior depends critically on the local aggregation dynamics. In the simulations with very large shear rates, floc formation takes place rapidly for all studied parameter combinations. Moreover, due to slippage, local shear rate becomes higher close to the walls than on average. Thus, the effective viscosity has higher value in the central region of the flow compared to the boundary regions. As to the varied parameters, fibril geometry (especially length) and suspension concentration appear to have much stronger effects on floc formation and viscosity than fibril interaction (double layer thickness) or bending stiffness.

AB - Nano-cellulose fibres in suspension/gel states are known to have complex structures, depending on e.g. concentration and ionic strength. These complex structures pose both opportunity and challenges: creating novel functional structures is challenged by difficult rheology and processability of NFC suspensions. To better assess the chemical and rheological impacts on the formation of nano-cellulose structures, we propose a novel particle-based method based on smoothed dissipative particle hydrodynamics. This numerical approach treats both fluid and solid phases in a unified way. Both fluid and solid phases are described as a set of particles exchanging momentum and/or interacting through Derjaguin-Landau-Verwey-Overbeek (DLVO) potentials. Additionally, nano-cellulose fibres are represented as strings of solid particles connected through extensional/bending springs. Brownian motion is also accounted for as a dissipative term. We used this model to simulate the micro rheology of NFC suspensions The simulations were carried out for the Couette geometry in a gap of the order of one micrometer. The goal was to determine the effect of various properties of cellulose nanofibre and its interaction strength on forming micro flocs and on local viscosity. The parametric effects on micro scale are expected to reflect in the observed macroscopic flow behavior as this behavior depends critically on the local aggregation dynamics. In the simulations with very large shear rates, floc formation takes place rapidly for all studied parameter combinations. Moreover, due to slippage, local shear rate becomes higher close to the walls than on average. Thus, the effective viscosity has higher value in the central region of the flow compared to the boundary regions. As to the varied parameters, fibril geometry (especially length) and suspension concentration appear to have much stronger effects on floc formation and viscosity than fibril interaction (double layer thickness) or bending stiffness.

KW - nanocellulose

KW - fibre

KW - suspension

KW - rheology

KW - simulation

M3 - Conference article in proceedings

SN - 978-1-5108-1568-1

SP - 630

EP - 639

BT - Proceedings

PB - TAPPI Press

ER -

Vidal D, Al-Qararah A, Ketoja J, Uesaka T. Micro-rheology of nanocellulose suspensions with smoothed particle hydrodynamics simulations. In Proceedings: Tappi International Conference on Nanotechnology for Renewable Materials 2013. TAPPI Press. 2013. p. 630-639