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On the rich chemistry of pseudo‐protic ionic liquid electrolytes

Wylie, Luke and Kéri, Mónika and Udvardy, Antal and Hollóczki, Oldamur and Kirchner, Barbara (2023) On the rich chemistry of pseudo‐protic ionic liquid electrolytes. CHEMSUSCHEM. No-e202300535. ISSN 1864-5631 (In Press)

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Abstract

Mixing weak acids and bases can produce highly complicated binary mixtures, called pseudo-protic ionic liquids, in which a complex network of effects determines the physicochemical properties that are currently impossible to predict. In this joint computational-experimental study, we investigated 1-methylimidazole-acetic acid mixtures through the whole concentration range. Effects of the varying ionization and excess of either components on the properties, such as density, diffusion coefficients, and overall hydrogen bonding structure were uncovered. A special emphasis was put on understanding the multiple factors that govern the conductivity of the system. In the presence of an excess of acetic acid, the 1-methylimidazolium acetate ion pairs dissociate more efficiently, resulting in a higher concentration of independently moving, conducting ions. However, the conductivity measurements showed that higher concentrations of acetic acid improve the conductivity beyond this effect, suggesting in addition to standard dilution effects the occurrence of Grotthuss diffusion in high acid-to-base ratios. The results here will potentially help designing novel electrolytes and proton conducting systems, which can be exploited in a variety of applications.

Item Type: Article
Uncontrolled Keywords: Grotthuss diffusion; Autocorrelation functions; ionicliquids; polarizable molecular dynamics simulations; binary electrolytes
Subjects: Q Science / természettudomány > QD Chemistry / kémia > QD02 Physical chemistry / fizikai kémia
SWORD Depositor: MTMT SWORD
Depositing User: MTMT SWORD
Date Deposited: 28 Sep 2023 07:54
Last Modified: 28 Sep 2023 07:54
URI: http://real.mtak.hu/id/eprint/175509

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