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Modeling the density of ionic liquids with ePC-SAFT
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.ORCID iD: 0000-0002-0200-9960
Department for Biochemical and Chemical Engineering, TU Dortmund.
2016 (English)In: Fluid Phase Equilibria, ISSN 0378-3812, E-ISSN 1879-0224, Vol. 410, p. 9-22Article in journal (Refereed) Published
Abstract [en]

ePC-SAFT was used to model the densities of ionic liquids (ILs) up to high pressures and temperatures. The ILs under consideration contained one of the IL-cations [Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+ or [THTDP]+, and one of the IL-anions [Tf2N]−, [PF6]−, [BF4]−, [tfo]−, [DCA]−, [SCN]−, [C1SO4]−, [C2SO4]−, [eFAP]−, Cl−, [Ac]− or Br−, respectively. Within the ePC-SAFT framework, IL-ion specific parameters were applied that are valid independent of the IL they are part of. Each IL-ion was modeled as a non-spherical species exerting repulsive, dispersive and Coulomb forces. The ePC-SAFT parameters for [Cnmim]+ (n = 2, 4, 6 and 8), [Tf2N]−, [PF6]−, and [BF4]- were taken from our previous work (Fluid Phase Equilibria 2012 (335) 64–73). Based on these parameters, all parameters of the other IL-ions were fitted to experimental density of pure ILs up to high pressures in a broad temperature range. Being provided with ion-specific and linearly molecular-weight-dependent parameters, ePC-SAFT allows reliably representing/predicting pure-IL and mixed-IL density up to high pressures

Place, publisher, year, edition, pages
2016. Vol. 410, p. 9-22
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-7515Local ID: 5e86155b-25ae-4e8d-b8e0-0ce64310d76eOAI: oai:DiVA.org:ltu-7515DiVA, id: diva2:980405
Note
Validerad; 2015; Nivå 2; 20151127 (xiajix)Available from: 2016-09-29 Created: 2016-09-29 Last updated: 2017-11-24Bibliographically approved

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