DMSO/IL solvent systems for cellulose dissolution: Binary or ternary mixtures?

被引：8
|
作者：
Paiva, Tiago G. [1 ]
Zanatta, Marcileia [1 ]
Cabrita, Eurico J. [2 ]
Bernardes, Carlos E. S. [3 ]
Corvo, Marta C. [1 ]
机构：
[1] NOVA Univ Lisbon, Sch Sci & Technol, Mat Sci Dept, i3N Cenimat, P-2829516 Caparica, Portugal
[2] NOVA Univ Lisbon, Sch Sci & Technol, Chem Dept, UCIBIO, P-2829516 Caparica, Portugal
[3] Univ Lisbon, Fac Ciencias, Ctr Quim Estrutural, P-1749016 Lisbon, Portugal
来源：
JOURNAL OF MOLECULAR LIQUIDS | 2022年 / 345卷
关键词：
Solvation behaviour; Water effect; Intermolecular interaction; NMR; Molecular dynamics simulation; IONIC LIQUIDS; DIMETHYL-SULFOXIDE; CARBON-DIOXIDE; WATER; SOLVATION; CHEMISTRY; HYDRATION; NMR;
D O I：
10.1016/j.molliq.2021.117810
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
The mechanism of cellulose dissolution in ionic liquid (IL)/dimethyl sulfoxide (DMSO) solvent systems has attracted much attention due to the possible replacement of synthetic materials. However, the solvent behaviour is not completely understood. This work has found an explanation for the solvent behaviour in cellulose dissolution, considering the almost unavoidable presence of the water. Ternary [C(4)mim] Cl/DMSO/H2O mixtures were studied with Nuclear Magnetic Resonance experiments and molecular dynamics simulations to explore IL/molecular solvents interactions and disclose the water interactions in these complex media. Titration of binary and ternary solvent systems with water and DMSO disclosed a relation between water's proton chemical shift and the molar fraction of the mixture components, creating an unprecedent theory to predict the cellulose solvation ability. A ``working range" for IL/DMSO/H2O ratio was observed, tested in cellulose dissolution, and rationalized using cellobiose interaction. Within this solvent ratio, the interactions between components are maximized, being switched on, while out of the range, the interactions are no longer detected. (C) 2021 Elsevier B.V. All rights reserved.
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页数：9
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