Modelling cellulose solubilities in ionic liquids using COSMO-RS
Abstract
Recently, ionic liquids have been studied as promising solvents for cellulose. Since ionic liquids can be combined freely from different cations and anions, possible candidates are numerous. Therefore, a time efficient method to screen ionic liquids with respect to their solvent power is mandatory to find an optimal combination. By applying a model with predictive capabilities, the relative solubilities of cellulose were computed using COSMO-RS combined with different types of models describing the combinatorial contribution to the chemical potential. The results are in good qualitative agreement with those from the scarce experimental data available in the literature. On the basis of these calculations, insight into the solvation mechanism within these systems was obtained. A screening of more than 2000 ionic liquids pointed to the anion as mainly being responsible for the respective dissolving power, suggesting some new ionic liquids as potential candidates for cellulose dissolution.
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
Ohno and co-workers reported rapid dissolution (5 min) of 15 wt% cellulose in aqueous solutions of tetrabutylphosphonium hydroxide and tetrabutylammonium hydroxide containing 40-50% water by weight at room temperature.
“Interestingly, Ohno and co-workers recently reported the rapid dissolution (5 min) of 15 wt% cellulose in aqueous solutions of tetrabutylphosphonium hydroxide, [(C 4 ) 4 P]OH, and tetrabutylammonium hydroxide, [(C 4 ) 4 N]OH, containing 40-50% water by weight at room temperature.102”
From Deconstruction of lignocellulosic biomass with ionic liquids (2013) · cites this paper as [102]
The citation lists haven’t been fetched yet
References 38 · Cited by 130
- Authors
- Kahlen, J., Masuch, K., & Leonhard, K.
- Affiliations
- RWTH Aachen University (DE)
- Corresponding author
- Leonhard, Kai
- ORCID
- Leonhard, Kai
- Venue
- Green Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2010
- Volume
- 12
- Issue
- 12
- Pages
- 2172
- ISSN
- 1463-9262 (ISSN-L)
- 1463-9270
- OpenAlex
- W2026578352
- Cited by
- 130
- References
- 38
- Citations by year
- 2026: 7 · 2025: 6 · 2024: 10 · 2023: 6 · 2022: 9 · 2021: 10 · 2020: 5 · 2019: 7 · 2018: 10 · 2017: 9 · 2016: 9 · 2015: 9 · 2014: 8 · 2013: 8 · 2012: 14
- FWCI
- 3.35
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- Green Chemistry (publishedVersion)
- RWTH Publications (RWTH Aachen) (submittedVersion)
- Funders
- Acadia University
- Topics
- Physical Sciences › Chemical Engineering › Catalysis › Ionic liquids properties and applications
- Physical Sciences › Materials Science › Biomaterials › Advanced Cellulose Research Studies
- Physical Sciences › Engineering › Biomedical Engineering › Phase Equilibria and Thermodynamics
- Keywords
- cellulose solubility, ionic liquids, COSMO-RS, solvation mechanism, anion effects, solvent power, cellulose dissolution
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
