Predicting cellulose solvating capabilities of acid-base conjugate ionic liquids.

  title={Predicting cellulose solvating capabilities of acid-base conjugate ionic liquids.},
  author={Arno Parviainen and Alistair W T King and Ilpo Mutikainen and Michael Hummel and Christoph Selg and Lauri K. J. Hauru and Herbert Sixta and Ilkka Kilpel{\"a}inen},
  volume={6 11},
Different acid-base conjugates were made by combining a range of bases and superbases with acetic and propionic acid. Only the combinations that contained superbases were capable of dissolving cellulose. Proton affinities were calculated for the bases. A range, within which cellulose dissolution occurred, when combined with acetic or propionic acid, was defined for further use. This was above a proton affinity value of about 240 kcal mol(-1) at the MP2/6-311+G(d,p)//MP2/ 6-311+G(d,p) ab initio… CONTINUE READING
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