Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes

Fuladi, Shadi; Gholivand, Hamed; Ahmadiparidari, Alireza; Curtiss, Larry A.; Salehi-Khojin, Amin; Khalili-Araghi, Fatemeh

doi:10.1021/acs.jpcb.1c01327

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Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes

Fuladi, Shadi·Gholivand, Hamed·Ahmadiparidari, Alireza·Curtiss, Larry A.·Salehi-Khojin, Amin·Khalili-Araghi, Fatemeh

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Abstract

We investigate the phase behavior of ternary mixtures of ionic liquid, organic solvent, and lithium salt by molecular dynamics simulations. We find that at room temperature, the electrolyte separates into distinct phases with specific compositions; an ion-rich domain that contains a fraction of solvent molecules and a second domain of pure solvent. Here, the phase separation is shown to be entropy-driven and is independent of lithium salt concentration. Phase separation is only observed at microsecond time scales and greatly affects the transport properties of the electrolyte.

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY Electrolytes Mixtures Molecules Phase separation Salts

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Fuladi, Shadi, Gholivand, Hamed, Ahmadiparidari, Alireza, Curtiss, Larry A., Salehi-Khojin, Amin, Khalili-Araghi, Fatemeh. 2021-06-08. Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes. https://doi.org/10.1021/acs.jpcb.1c01327

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