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

Autor(es)

Gale, Ella ; Wirawan, Remigius H. ; Silveira, Rodrigo L. ; Pereira, Caroline S. ; Johns, Marcus A. ; Skaf, Munir S. ; Scott, Janet L.

• Tipo de documento: Artigo Científico
• Fonte: ACS SUSTAINABLE CHEMISTRY & ENGINEERING; v. 4, n. 11, p. 6200-6207, NOV 2016.
• Citações Web of Science: 13

Resumo

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)

• Processo FAPESP: 13/08293-7 - CECC - Centro de Engenharia e Ciências Computacionais
• Beneficiário: Munir Salomao Skaf
• Modalidade de apoio: Auxílio à Pesquisa - Centros de Pesquisa, Inovação e Difusão - CEPIDs
• Processo FAPESP: 14/10448-1 - Aspectos moleculares da arquitetura de paredes celulares de plantas
• Beneficiário: Rodrigo Leandro Silveira
• Modalidade de apoio: Bolsas no Brasil - Pós-Doutorado
• Processo FAPESP: 15/25031-1 - Dinâmica molecular de enzimas modificadores de de carbohidratos para desconstrução e valorização de biomassa lignocelulósica
• Beneficiário: Caroline Simões Pereira
• Modalidade de apoio: Bolsas no Brasil - Doutorado