Modeling imidazolium-based ionic liquids with ePC-SAFT: Part II. Application to H2S and synthesis-gas components
2014 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 363, 59–65- p.Article in journal (Refereed) Published
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
IdentifiersURN: urn:nbn:se:ltu:diva-12981DOI: 10.1016/j.fluid.2013.11.019Local ID: c21be256-281e-4d07-8c5d-5d8c27cef1a6OAI: oai:DiVA.org:ltu-12981DiVA: diva2:985932
Validerad; 2014; 20131120 (andbra)2016-09-292016-09-29Bibliographically approved