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On the dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide : a frustrated solvent

Idström, Alexander ; Gentile, Luigi LU ; Gubitosi, Marta LU ; Olsson, Carina ; Stenqvist, Björn LU ; Lund, Mikael LU orcid ; Bergquist, Karl Erik LU ; Olsson, Ulf LU ; Köhnke, Tobias and Bialik, Erik LU (2017) In Cellulose 24(9). p.3645-3657
Abstract

We have found that the dissolution of cellulose in the binary mixed solvent tetrabutylammonium acetate/dimethyl sulfoxide follows a previously overlooked near-stoichiometric relationship such that one dissolved acetate ion is able to dissolve an amount of cellulose corresponding to about one glucose residue. The structure and dynamics of the resulting cellulose solutions were investigated using small-angle X-ray scattering (SAXS) and nuclear magnetic resonance techniques as well as molecular dynamics simulation. This yielded a detailed picture of the dissolution mechanism in which acetate ions form hydrogen bonds to cellulose and causes a diffuse solvation sheath of bulky tetrabutylammonium counterions to form. In turn, this leads to a... (More)

We have found that the dissolution of cellulose in the binary mixed solvent tetrabutylammonium acetate/dimethyl sulfoxide follows a previously overlooked near-stoichiometric relationship such that one dissolved acetate ion is able to dissolve an amount of cellulose corresponding to about one glucose residue. The structure and dynamics of the resulting cellulose solutions were investigated using small-angle X-ray scattering (SAXS) and nuclear magnetic resonance techniques as well as molecular dynamics simulation. This yielded a detailed picture of the dissolution mechanism in which acetate ions form hydrogen bonds to cellulose and causes a diffuse solvation sheath of bulky tetrabutylammonium counterions to form. In turn, this leads to a steric repulsion that helps to keep the cellulose chains apart. Structural similarities to previously investigated cellulose solutions in aqueous tetrabutylammonium hydroxide were revealed by SAXS measurement. To what extent this corresponds to similarities in dissolution mechanism is discussed.

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author
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organization
publishing date
type
Contribution to journal
publication status
published
subject
keywords
Cellulose dissolution, Ionic liquids, Molecular dynamics simulations, Nuclear magnetic resonance, Small angle X-ray scattering
in
Cellulose
volume
24
issue
9
pages
3645 - 3657
publisher
Springer
external identifiers
  • scopus:85021162537
  • wos:000407437000004
ISSN
0969-0239
DOI
10.1007/s10570-017-1370-2
language
English
LU publication?
yes
id
e1e572bf-9691-46a9-aa7b-8bfa95954c69
date added to LUP
2017-07-11 13:24:02
date last changed
2024-10-14 09:27:04
@article{e1e572bf-9691-46a9-aa7b-8bfa95954c69,
  abstract     = {{<p>We have found that the dissolution of cellulose in the binary mixed solvent tetrabutylammonium acetate/dimethyl sulfoxide follows a previously overlooked near-stoichiometric relationship such that one dissolved acetate ion is able to dissolve an amount of cellulose corresponding to about one glucose residue. The structure and dynamics of the resulting cellulose solutions were investigated using small-angle X-ray scattering (SAXS) and nuclear magnetic resonance techniques as well as molecular dynamics simulation. This yielded a detailed picture of the dissolution mechanism in which acetate ions form hydrogen bonds to cellulose and causes a diffuse solvation sheath of bulky tetrabutylammonium counterions to form. In turn, this leads to a steric repulsion that helps to keep the cellulose chains apart. Structural similarities to previously investigated cellulose solutions in aqueous tetrabutylammonium hydroxide were revealed by SAXS measurement. To what extent this corresponds to similarities in dissolution mechanism is discussed.</p>}},
  author       = {{Idström, Alexander and Gentile, Luigi and Gubitosi, Marta and Olsson, Carina and Stenqvist, Björn and Lund, Mikael and Bergquist, Karl Erik and Olsson, Ulf and Köhnke, Tobias and Bialik, Erik}},
  issn         = {{0969-0239}},
  keywords     = {{Cellulose dissolution; Ionic liquids; Molecular dynamics simulations; Nuclear magnetic resonance; Small angle X-ray scattering}},
  language     = {{eng}},
  number       = {{9}},
  pages        = {{3645--3657}},
  publisher    = {{Springer}},
  series       = {{Cellulose}},
  title        = {{On the dissolution of cellulose in tetrabutylammonium acetate/dimethyl sulfoxide : a frustrated solvent}},
  url          = {{http://dx.doi.org/10.1007/s10570-017-1370-2}},
  doi          = {{10.1007/s10570-017-1370-2}},
  volume       = {{24}},
  year         = {{2017}},
}