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Photo Mikael Lund

Mikael Lund

Professor

Photo Mikael Lund

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

Author

  • Alexander Idström
  • Luigi Gentile
  • Marta Gubitosi
  • Carina Olsson
  • Björn Stenqvist
  • Mikael Lund
  • Karl Erik Bergquist
  • Ulf Olsson
  • Tobias Köhnke
  • Erik Bialik

Summary, in English

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.

Department/s

  • Physical Chemistry
  • Computational Chemistry
  • Centre for Analysis and Synthesis

Publishing year

2017-09

Language

English

Pages

3645-3657

Publication/Series

Cellulose

Volume

24

Issue

9

Document type

Journal article

Publisher

Springer

Topic

  • Paper, Pulp and Fiber Technology

Keywords

  • Cellulose dissolution
  • Ionic liquids
  • Molecular dynamics simulations
  • Nuclear magnetic resonance
  • Small angle X-ray scattering

Status

Published

ISBN/ISSN/Other

  • ISSN: 0969-0239