Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes | Zendy

Shadi Fuladi | Zendy; Hamed Gholivand | Zendy; Alireza Ahmadiparidari | Zendy; Larry A. Curtiss | Zendy; Amin SalehiKhojin | Zendy; Fatemeh KhaliliAraghi | Zendy

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Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes

Author(s) -

Shadi Fuladi,

Hamed Gholivand,

Alireza Ahmadiparidari,

Larry A. Curtiss,

Amin SalehiKhojin,

Fatemeh KhaliliAraghi

Publication year - 2021

Publication title -

the journal of physical chemistry b

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.864

H-Index - 392

eISSN - 1520-6106

pISSN - 1520-5207

DOI - 10.1021/acs.jpcb.1c01327

Subject(s) - electrolyte , ternary operation , ionic liquid , solvent , phase (matter) , salt (chemistry) , lithium (medication) , ionic bonding , chemistry , ion , microsecond , materials science , inorganic chemistry , thermodynamics , organic chemistry , electrode , computer science , programming language , catalysis , medicine , physics , astronomy , endocrinology

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. 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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