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dc.contributor.authorRocha, M. Alejandra
dc.contributor.authorZhang, Yong
dc.contributor.authorMaginn, Edward J.
dc.contributor.authorShiflett, Mark B.
dc.date.accessioned2019-11-18T14:20:39Z
dc.date.available2019-11-18T14:20:39Z
dc.date.issued2018-10-29
dc.identifier.citationPhys. 149, 164503 (2018); https://doi.org/10.1063/1.5054786en_US
dc.identifier.urihttp://hdl.handle.net/1808/29783
dc.description.abstractThe miscibility of ionic liquid (IL) pairs with a common cation (1-ethyl-3-methylimidazolium [C2C1im]) and different anions (bis(trifluoromethylsulfonyl)amide [TFSI], acetate [OAc], and chloride [Cl]) was investigated at a wide range of water concentrations at room temperature. Molecular simulations predicted that the addition of water to the [C2C1im][TFSI]:[C2C1im][OAc] and [C2C1im][TFSI]:[C2C1im][Cl] mixtures would induce a liquid-liquid phase separation and that water addition to the [C2C1im][OAc]:[C2C1im][Cl] mixture would not produce a phase separation. The effect of water on the phase behavior of the IL mixtures was verified experimentally, and the IL and water concentrations were determined in each phase. Of particular importance is the analytical methodology used to determine the species’ concentration, where 1H NMR and a combination of 19F NMR, Karl Fischer titration, and ion chromatography techniques were applied.en_US
dc.description.sponsorshipJoint Center for Energy Storage Research under Contract No. DE-AC0206CH11357en_US
dc.description.sponsorshipAir Force Office of Scientific Research under Contract No. AFOSR FA9550-18-1- 0321.en_US
dc.publisherAIP Publishingen_US
dc.rights© 2018 Author(s).en_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/en_US
dc.titleSimulation and measurement of water-induced liquid-liquid phase separation of imidazolium ionic liquid mixturesen_US
dc.typeArticleen_US
kusw.kuauthorRocha, M. Alejandra
kusw.kuauthorShiflett, Mark B.
kusw.kudepartmentChemical and Petroleum Engineeringen_US
dc.identifier.doi10.1063/1.5054786en_US
dc.identifier.orcidhttps://orcid.org/0000-0002-7743-6692en_US
dc.identifier.orcidhttps://orcid.org/0000-0002-6309-1347en_US
dc.identifier.orcidhttps://orcid.org/0000-0002-8934-6192en_US
kusw.oaversionScholarly/refereed, author accepted manuscripten_US
kusw.oapolicyThis item meets KU Open Access policy criteria.en_US
dc.rights.accessrightsOpenAccessen_US


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