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The Faraday Discussions article delves into the intricate dynamics of ionic fluids under non-equilibrium conditions, particularly in the realm of electrodeposition and dissolution. Researchers explore topics such as Li ion coordination, innovative electrolyte design, and the impact of ultrasound on electrode performance. The study also delves into the complexities of ion clusters in ionic liquids' electrical double layer and the challenges of predicting properties of different salts. Considerations for sustainability and economics in battery manufacture, including the use of non-fluorinated salts, are also discussed. [Extracted from the article]

The Faraday Discussions article delves into the equilibrium behavior of ionic fluids, covering topics such as thermodynamics, nanostructure, phase behavior, and activity. Researchers engage in a discussion on phase separation, ion size differences, and temperature effects, exploring the impact of ion pairing, solvation properties, and polymer conformation on the phase separation of salt solutions. The study aims to understand the driving forces behind liquid-liquid phase separation and its practical applications in electrochemical devices and batteries, emphasizing the need for diverse datasets and molecular structure correlations to enhance predictive models for deep eutectic solvents. [Extracted from the article]

The document delves into the properties of dense ionic fluids, particularly the viscoelastic characteristics influenced by charge-charge correlations. Researchers shared their findings on topics like charge alternation peaks relaxation and micelle behavior in deep eutectic solvents. Interactions between hydrogenated and fluorinated moieties in ionic liquid mixtures were examined, revealing no phase separation. Additionally, the use of machine learning potentials in molecular dynamics simulations to study transport coefficients in complex charged solutions was explored, with discussions on the choice of potentials, treatment of long-range Coulomb interactions, and the accuracy of DFT calculations. The study focuses on a specific ionic liquid but hints at future exploration of more complex systems. [Extracted from the article]

We have used a library of thermally stable tetraalkylphosphonium carboxylate ionic liquids that were easily prepared from available carboxylic acids. Depending on the pKa in water of the precursor acids, the resulting ionic liquids either dissolve or reversibly chemically absorb CO2, with some exhibiting notable gas capacities, reaching a CO2 mole fraction of 0.2 at 1 bar and 343 K. While equilibrium constants and ionic liquid capacities generally correlate with the pKa of the acids, certain exceptions underscore the influence of liquid structure and physical properties of the ionic liquids, elucidated through molecular dynamics simulations and density functional theory calculations. Unlike the trends observed in other CO2-absorbing ILs, phosphonium carboxylates do not experience increased viscosity upon gas absorption; instead, enhanced diffusivities are observed, facilitating efficient gas–liquid transfer. [ABSTRACT FROM AUTHOR]

The large melting point depressions characterising deep eutectic solvents (DESs) are related to negative deviations from ideal mixing behaviour characterised by the excess Gibbs energy. Favourable excess Gibbs energies result from a balance between the excess entropy and enthalpy of mixing, which was experimentally determined for three choline chloride (ChCl) based mixtures using calorimetry. While the excess Gibbs energy of H2O + ChCl is enthalpy dominated, those of ethylene glycol (EG) + ChCl and 1,3-propanediol + ChCl are entropy dominated. Molecular dynamics simulations using polarisable force-fields show intermolecular hydrogen bonds between DES constituents for H2O + ChCl and EG + ChCl. Hence, inter-species hydrogen bonding does not guarantee enthalpy-dominated melting point depressions. We suggest future research to focus on tuning the entropy–enthalpy balance via the chemical nature of the DES constituents. [ABSTRACT FROM AUTHOR]