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How to Detect Possible Pitfalls in ePC-SAFT Modeling. 2. Extension to Binary Mixtures of 96 Ionic Liquids with CO2, H2S, CO, O-2, CH4, N-2, and H-2
Stockholm University, Faculty of Science, Department of Materials and Environmental Chemistry (MMK). LuleƄ University of Technology, Sweden; Nanjing Tech University, P. R. China; Petru Poni Institute of Macromolecular Chemistry, Romania.
Number of Authors: 42020 (English)In: Industrial & Engineering Chemistry Research, ISSN 0888-5885, E-ISSN 1520-5045, Vol. 59, no 49, p. 21579-21591Article in journal (Refereed) Published
Abstract [en]

The occurrence of numerical pitfalls has been pointed out for the models of equation of state, including the statistical associating fluid theory (SAFT)-based. Following our previous work on pure ILs when modeling with ePC-SAFT, this work extended the research to the IL-gas mixtures, in which the associating term was derived for predicting the critical point with PC-SAFT, and a scheme for detecting a pitfall in IL-gas mixtures was developed. Then, the scheme was applied to detect the pitfall occurrence in IL-gas (gas = CO2, H2S, CO, O-2, CH4, N-2, and H-2) systems, which are commonly encountered in developing IL-based CO 2 separation technologies. It shows that a pitfall occurs only in [C(8)mpy] [BF4]-gas (CO2, H2S, CO, O-2, CH4, N-2, and H-2) among all ILs considered in the temperature and pressure range of interest.

Place, publisher, year, edition, pages
2020. Vol. 59, no 49, p. 21579-21591
National Category
Chemical Engineering
Identifiers
URN: urn:nbn:se:su:diva-189927DOI: 10.1021/acs.iecr.0c04485ISI: 000599504000027OAI: oai:DiVA.org:su-189927DiVA, id: diva2:1526281
Available from: 2021-02-06 Created: 2021-02-06 Last updated: 2022-02-25Bibliographically approved

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Laaksonen, Aatto

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