Change search
ReferencesLink to record
Permanent link

Direct link
Modeling imidazolium-based ionic liquids with ePC-SAFT
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
Department for Biochemical and Chemical Engineering, TU Dortmund.
Department for Biochemical and Chemical Engineering, TU Dortmund.
2012 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 335, 64-73 p.Article in journal (Refereed) Published
Abstract [en]

ePC-SAFT was used to investigate the density of and gas solubilities in imidazolium-based ionic liquids (ILs) applying different modeling strategies. The ion-based strategy including a Debye-Hückel Helmholtz-energy term to represent the ionic interactions describes the experimental data best. For this strategy, the IL was considered to be completely dissociated into a cation and an anion. Each ion was modeled as non-spherical species exerting repulsive, dispersive, and Coulomb forces. A set of ePC-SAFT parameters for seven ions was obtained by fitting to reliable density data of pure ILs up to 1000 bar with a fitting error of 0.14% on average. The model can be used to quantitatively extrapolate the density of pure ILs at temperatures from 283 to 473 K and pressures up to 3000 bar. Moreover, this strategy allows predicting CO2 solubilities in ILs between 293 and 450 K and up to 950 bar. Applying the same set of IL parameters, the much lower solubility of CH4 compared to CO2 can also be predicted with ePC-SAFT.

Place, publisher, year, edition, pages
2012. Vol. 335, 64-73 p.
Research subject
Energy Engineering
URN: urn:nbn:se:ltu:diva-15747DOI: 10.1016/j.fluid.2012.05.029Local ID: f4b95415-0f1a-42b3-bc94-91840327f369OAI: diva2:988722
Validerad; 2012; 20120529 (xiajix)Available from: 2016-09-29 Created: 2016-09-29Bibliographically approved

Open Access in DiVA

fulltext(871 kB)1 downloads
File information
File name FULLTEXT01.pdfFile size 871 kBChecksum SHA-512
Type fulltextMimetype application/pdf

Other links

Publisher's full text

Search in DiVA

By author/editor
Ji, Xiaoyan
By organisation
Energy Science
In the same journal
Fluid Phase Equilibria

Search outside of DiVA

GoogleGoogle Scholar
Total: 1 downloads
The number of downloads is the sum of all downloads of full texts. It may include eg previous versions that are now no longer available

Altmetric score

Total: 2 hits
ReferencesLink to record
Permanent link

Direct link