Go to:
Logótipo
You are here: Start > Publications > View > Predicting the ionicity of ionic liquids in binary mixtures based on solubility data
Inauguração da Exposição A Velha Escola Morreu
Publication

Predicting the ionicity of ionic liquids in binary mixtures based on solubility data

Title
Predicting the ionicity of ionic liquids in binary mixtures based on solubility data
Type
Article in International Scientific Journal
Year
2023
Authors
Maria Eugénia Macedo
(Author)
FEUP
View Personal Page You do not have permissions to view the institutional email. Search for Participant Publications View Authenticus page View ORCID page
Catarina Lopes
(Author)
FEUP
View Personal Page You do not have permissions to view the institutional email. Search for Participant Publications Without AUTHENTICUS Without ORCID
Journal
Vol. 567 No. 113717
ISSN: 0378-3812
Publisher: Elsevier
Indexing
Publicação em ISI Web of Knowledge ISI Web of Knowledge - 0 Citations
Publicação em ISI Web of Science ISI Web of Science
Scientific classification
CORDIS: Technological sciences
FOS: Engineering and technology
Other information
Authenticus ID: P-00X-RGM
Abstract (EN): Ionic liquids (ILs) are ionic compounds which are liquid at room temperature and pressure, and can be applied in many fields, such as industrial synthesis, catalysis, electrochemistry, and liquid-liquid separations. To enhance the description of mixtures containing ILs and, consequently, to allow a more rigorous evaluation of the feasi-bility of chemical processes, it is important to study properties such as the ionicity (alpha) of ionic liquids, i.e., the fraction of dissociated molecules. However, experimental determinations of ionicity (also known as dissociation degree or dissociation extent) are time-consuming and require the handling of expensive equipment, so the prediction of this property as a function of the system's composition using thermodynamic modelling is of great relevance. For that purpose, the UNIversal QUAsi-Chemical (UNIQUAC) model was combined with the Pitzer-Debye-Huckel (PDH) equation, which is often referred as PDH+UNIQUAC, and it was used to predict the ionicity of ILs in binary mixtures based on liquid-liquid equilibria (LLE) data. The results were compared with the available experimental data from literature and low deviations were observed, validating thereafter the devel-oped approach. In total, the IL ionicity was predicted, as function of composition, for fourteen ionic liquid / solvent (water or 1-butanol) binary systems. Further, a sensitivity analysis was performed to evaluate the in-fluence of the LLE uncertainties on ionicity (alpha), and it was concluded that alpha was not significantly affected by small deviations, for which the methodology proposed in this work was considered robust. The prediction of IL ionicity with composition using PDH+UNIQUAC thermodynamic modelling was considered a breakthrough, since very accurate results were achieved without the need of undergoing complex experiments.
Language: English
Type (Professor's evaluation): Scientific
No. of pages: 8
Documents
We could not find any documents associated to the publication.
Related Publications

Of the same authors

Predicting the ionicity of ionic liquids in binary mixtures based on solubility data: II (2023)
Article in International Scientific Journal
Maria Eugénia Macedo; Pedro Velho; Catarina Lopes

Of the same journal

VIII Ibero-American Conference on Phase Equilibria and Fluid Properties for Process Design Preface (2010)
Another Publication in an International Scientific Journal
Arce, A; Brignole, EA; Maria Eugénia Macedo; de Loos, TW
Fluid Phase Equilibria - ESAT 2022 (2023)
Another Publication in an International Scientific Journal
Maria Eugénia Macedo; Tim Zeiner; Kai Langenbach
Water solubility of drug-like molecules with the cubic-plus-association equation of state (2010)
Article in International Scientific Journal
Fátima L. Mota; António J. Queimada; Simão P. Pinho; Eugénia A. Macedo

See all (112)

Recommend this page Top
Copyright 1996-2024 © Faculdade de Engenharia da Universidade do Porto  I Terms and Conditions  I Accessibility  I Index A-Z  I Guest Book
Page generated on: 2024-10-31 at 19:45:43 | Acceptable Use Policy | Data Protection Policy | Complaint Portal