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Modeling imidazolium-based ionic liquids with ePC-SAFT: Part II. Application to H2S and synthesis-gas components
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.
2014 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 363, 59–65- p.Article in journal (Refereed) Published
Abstract [en]

ePC-SAFT was used to model the gas solubility in ionic liquids (ILs). The gases under consideration were CO, H2, H2S and O2, and the imidazolium-based ILs studied were [Cnmim][Tf2N], [Cnmim][PF6] and [Cnmim][BF4] (n = 2, 4, 6 and 8). For the ePC-SAFT modeling, each IL was considered to be completely dissociated into a cation and an anion. Each ion was modeled as a non-spherical species exerting repulsive, dispersive and Coulomb forces. CO, H2 and O2 were modeled as non-spherical molecules exerting repulsive and dispersive forces, and H2S was modeled as a non-spherical, associating molecule. ePC-SAFT reasonably predicts the gas solubility in the considered gas/IL mixtures. In order to describe the experimental gas solubilities quantitatively in a broad temperature and pressure range, one ion-specific binary interaction parameter between the IL-anion and the gas was applied, which was allowed to depend linearly on temperature.

Place, publisher, year, edition, pages
2014. Vol. 363, 59–65- p.
Research subject
Energy Engineering
URN: urn:nbn:se:ltu:diva-12981DOI: 10.1016/j.fluid.2013.11.019Local ID: c21be256-281e-4d07-8c5d-5d8c27cef1a6OAI: diva2:985932
Validerad; 2014; 20131120 (andbra)Available from: 2016-09-29 Created: 2016-09-29Bibliographically approved

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