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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Directed Discovery of Greener Cosolvents: New Cosolvents for Use in Ionic Liquid Based Organic Electrolyte Solutions for Cellulose Dissolution

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Gale, Ella ; Wirawan, Remigius H. ; Silveira, Rodrigo L. ; Pereira, Caroline S. ; Johns, Marcus A. ; Skaf, Munir S. ; Scott, Janet L.
Total Authors: 7
Document type: Journal article
Source: ACS SUSTAINABLE CHEMISTRY & ENGINEERING; v. 4, n. 11, p. 6200-6207, NOV 2016.
Web of Science Citations: 13

Cellulose is an abundant, cheap, renewable, yet recalcitrant, material, which, if dissolved, may be formed into a wide range of materials, composites, and mixtures. Much attention has recently been focused on the use of mixtures of ionic liquids and some solvents (so-called organic electrolyte solutions, OESs) as efficient cellulose dissolution solvents, but many of the cosolvents used lack green credentials a perennial problem where dipolar aprotic solvents are the solvents of choice. We present a rational approach, based on definition of ranges of solvent parameters gathered together in recently published databases, to find ``greener{''} cosolvents for OES formation. Thus, gamma-butyrolactone is identified as a suitable OES former for dissolution of microcrystalline cellulose and biobased gamma-valerolactone as a marginally less efficient, but significantly safer, alternative. Comparison of cosolvent efficiency reveals that previous use of measures of mass, or concentration, of cellulose dissolved may have masked the similarities between 1-methylimidazole, dimethyl sulfoxide (DMSO), N,N-dimethylformamide, N-N'-dimethylimidazolidinone, NN-dimethylacetamide, N-methylpyrrolidinone, and sulfolane (seldom considered), while comparison on a molar basis reveals that the molar volume of the solvent is an important factor. Reference-interaction site model (RISM) calculations for the DMSO/1-ethyl-3-methylimidazolium acetate OES suggest competition between DMSO and the acetate anion and preferential solvation of cellulose by the ionic liquid. (AU)

FAPESP's process: 13/08293-7 - CCES - Center for Computational Engineering and Sciences
Grantee:Munir Salomao Skaf
Support Opportunities: Research Grants - Research, Innovation and Dissemination Centers - RIDC
FAPESP's process: 14/10448-1 - Molecular aspects of plant cell wall architecture
Grantee:Rodrigo Leandro Silveira
Support Opportunities: Scholarships in Brazil - Post-Doctorate
FAPESP's process: 15/25031-1 - Molecular Dynamics of Carbohydrate Modifying Enzymes for Lignocellulosic Biomass Deconstruction and Valorization
Grantee:Caroline Simões Pereira
Support Opportunities: Scholarships in Brazil - Doctorate