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Modeling Thermodynamic Derivative Properties and Gas Solubility of Ionic Liquids with ePC-SAFT
Luleå University of Technology, Department of Engineering Sciences and Mathematics, Energy Science.
Laboratory of Thermodynamics, Department of Biochemical and Chemical Engineering, TU Dortmund, Dortmund, Germany.
Laboratory of Thermodynamics, Department of Biochemical and Chemical Engineering, TU Dortmund, Dortmund, Germany.
State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing, PR China.
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2019 (English)In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 58, no 19, p. 8401-8417Article in journal (Refereed) Published
Abstract [en]

In this work, the ion-specific electrolyte perturbed-chain statistical associating fluid theory (ePC-SAFT) was extended to predict the second-order thermodynamic derivative properties and gas solubility of the ionic liquids (ILs) containing one of the IL cations ([Cnmim]+, [Cnpy]+, [Cnmpy]+, [Cnmpyr]+, and [THTDP]+) and one of the IL anions ([Tf2N], [PF6], [BF4], [tfo], [DCA], [SCN], [C1SO4], [C2SO4], [eFAP], Cl, [Ac], and Br). The ideal-gas isobaric heat capacities of ILs were estimated by the group contribution method for obtaining the heat capacity. The model prediction results were compared with the available experimental data, and the comparison shows that the ePC-SAFT prediction is reliable for most ILs. Furthermore, one adjustable ion-specific binary interaction parameter between the IL ion and CO2 can be used to further improve the model prediction performance for the CO2 solubility in ILs.

Place, publisher, year, edition, pages
American Chemical Society (ACS), 2019. Vol. 58, no 19, p. 8401-8417
National Category
Energy Engineering
Research subject
Energy Engineering
Identifiers
URN: urn:nbn:se:ltu:diva-74685DOI: 10.1021/acs.iecr.9b00254ISI: 000468368100074Scopus ID: 2-s2.0-85065545825OAI: oai:DiVA.org:ltu-74685DiVA, id: diva2:1326719
Note

Validerad;2019;Nivå 2;2019-06-18 (johcin)

Available from: 2019-06-18 Created: 2019-06-18 Last updated: 2019-06-18Bibliographically approved

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Sun, YunhaoJi, Xiaoyan

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