Journal Article10.1021/ACS.JPCB.1C01327
Multicomponent Phase Separation in Ternary Mixture Ionic Liquid Electrolytes.
Shadi Fuladi,Hamed Gholivand,Alireza Ahmadiparidari,Larry A. Curtiss,Amin Salehi-Khojin,Fatemeh Khalili-Araghi +5 more
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TL;DR: In this paper, the phase behavior of ternary mixtures of ionic liquid, organic solvent, and lithium salt was investigated by molecular dynamics simulations, and it was shown that at room temperature, the electrolyte separates into distinct phases with specific compositions.
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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. 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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Phase behaviors of ionic liquids attributed to the dual ionic and organic nature
Chenyu 晨宇 Tang 唐,Y. Wang 王 +1 more
TL;DR: In this paper , the authors summarize the major conclusions drawn on phase behaviors of ILs by computational, theoretical, and experimental studies, illustrating the intrinsic relationship between their dual ionic and organic nature and the crystalline phases.
Phase Separation and Ion Diffusion in Ionic Liquid, Organic Solvent, and Lithium Salt Electrolyte Mixtures.
Hamed Gholivand,Amin Salehi-Khojin,Fatemeh Khalili-Araghi +2 more
TL;DR: This study investigates phase separation and ion diffusion in ternary electrolyte mixtures of ionic liquids, organic solvents, and lithium salts using molecular dynamics simulations, revealing that phase separation is driven by pairwise binding energy and temperature-dependent Li+ ion diffusion.
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Phase Behaviors of Ionic Liquids Attributed to the Dual Ionic and Organic Nature
Chenyu Tang,Yanting Wang +1 more
TL;DR: In this article , the authors summarize the major conclusions drawn on phase behaviors of Ionic liquids by computational, theoretical, and experimental studies, illustrating the intrinsic relationship between their dual ionic and organic nature and the crystalline phases.
1
Simulating the ionic liquid mixing with organic-solvent clarifies the mixture’s SFG spectral behavior and the specific surface region originating SFG
Leila Sakhtemanian,Anjeeta Duwadi,Steven Baldelli,Mohammad Hadi Ghatee +3 more
TL;DR: Molecular dynamics simulations of [C₄mim][PF₆] ionic liquid mixed with benzonitrile solvent reveal structural and dynamic properties, crucial for electrochemistry and materials science, through varying mole fractions, clarifying SFG spectral behavior and surface region origins.
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