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

作者: Alexander Idström , Luigi Gentile , Marta Gubitosi , Carina Olsson , Björn Stenqvist

DOI: 10.1007/S10570-017-1370-2

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

参考文章(55)
Yao Li, Xiaomin Liu, Suojiang Zhang, Yingying Yao, Xiaoqian Yao, Junli Xu, Xingmei Lu, Dissolving process of a cellulose bunch in ionic liquids: a molecular dynamics study. Physical Chemistry Chemical Physics. ,vol. 17, pp. 17894- 17905 ,(2015) , 10.1039/C5CP02009C
Carina Olsson, Alexander Idström, Lars Nordstierna, Gunnar Westman, Influence of water on swelling and dissolution of cellulose in 1-ethyl-3-methylimidazolium acetate Carbohydrate Polymers. ,vol. 99, pp. 438- 446 ,(2014) , 10.1016/J.CARBPOL.2013.08.042
Ana Labrador, Yngve Cerenius, Christer Svensson, Keld Theodor, Tomás Plivelic, The yellow mini-hutch for SAXS experiments at MAX IV Laboratory Journal of Physics, Conference Series; 425(Part 7), pp 1-4 (2013). ,vol. 425, pp. 1- 4 ,(2013) , 10.1088/1742-6596/425/7/072019
Berk Hess, Carsten Kutzner, David van der Spoel, Erik Lindahl, GROMACS 4: Algorithms for highly efficient, load-balanced, and scalable molecular simulation Journal of Chemical Theory and Computation. ,vol. 4, pp. 435- 447 ,(2008) , 10.1021/CT700301Q
H.-P Fink, P Weigel, H.J Purz, J Ganster, Structure formation of regenerated cellulose materials from NMMO-solutions Progress in Polymer Science. ,vol. 26, pp. 1473- 1524 ,(2001) , 10.1016/S0079-6700(01)00025-9
Ilkka Kilpeläinen, Haibo Xie, Alistair King, Mari Granstrom, Sami Heikkinen, Dimitris S. Argyropoulos, Dissolution of wood in ionic liquids. Journal of Agricultural and Food Chemistry. ,vol. 55, pp. 9142- 9148 ,(2007) , 10.1021/JF071692E
R. Krishnan, J. S. Binkley, R. Seeger, J. A. Pople, Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions Journal of Chemical Physics. ,vol. 72, pp. 650- 654 ,(1980) , 10.1063/1.438955
Daan P. Geerke, Chris Oostenbrink, Nico F. A. van der Vegt, Wilfred F. van Gunsteren, An effective force field for molecular dynamics simulations of dimethyl sulfoxide and dimethyl sulfoxide-water mixtures Journal of Physical Chemistry B. ,vol. 108, pp. 1436- 1445 ,(2004) , 10.1021/JP035034I