Lithium bromide in acetonitrile: Thermodynamics, theory, and simulation

Kunz, Werner; Barthel, J.; Klein, Lior; Cartailler, Thierry; Turq, Pierre; Reindl, Bernd

doi:10.1007/bf01074950

Cited by 40 publications

(19 citation statements)

References 22 publications

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“…A comparison of present values of vapor pressure data with those from Kunz et al [1] for T ¼ 298:15 K are shown in figure 2. Table 2 shows the experimental vapor pressure data of pure acetonitrile in the range T ¼ ð298:15 to 343:15Þ K. The data are fitted with the Antoine equation:…”

Section: Resultsmentioning

confidence: 82%

“…For (LiBr + acetonitrile), osmotic coefficients from vapor pressure measurements [1] can be found in the literature at T ¼ 298:15 K, whereas data on the thermodynamic activity of acetonitrile salt solutions and the corresponding osmotic and activity coefficients at temperature other than T ¼ 298:15 K are very limited.…”

Section: Introductionmentioning

confidence: 99%

“…Although toxic, this solvent is inexpensive and easily available at high purity. The (LiBr + acetonitrile) are of particular interest to engineers and chemists and they are commonly used in modern electrochemical technologies [1].…”

Section: Introductionmentioning

confidence: 99%

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Vapor pressures, osmotic and activity coefficients for (LiBr+acetonitrile) between the temperatures (298.15 and 343.15) K

Nasirzadeh

Neueder

Kunz

2004

The Journal of Chemical Thermodynamics

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Section: Resultsmentioning

confidence: 82%

Section: Introductionmentioning

confidence: 99%

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Vapor pressures, osmotic and activity coefficients for (LiBr+acetonitrile) between the temperatures (298.15 and 343.15) K

Nasirzadeh

Neueder

Kunz

2004

The Journal of Chemical Thermodynamics

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“…A comparison of our apparent molar volume data, V / , and those obtained by Pasztor and Criss [14] and calculated from the density data [37] at T = 298.15 K are shown in figure 1. The densities of LiBr in acetonitrile solutions have been measured up to 0.84m and fitted to a polynomial of the third degree in molalities, m [38,39]. A comparison of our density data, d, and the corresponding data, d * , TABLE 3 Coefficients of Redlich-Mayer and an abbreviated form of the Pitzer equations and standard deviations, r(V / ), for (LiBr + organic solvent) systems Solvent (7) a Obtained from the Redlich-Mayer equation.…”

Section: Determination Of Limiting Apparent Molar Volume and Isentropmentioning

confidence: 99%

Density and speed of sound of lithium bromide with organic solvents: Measurement and correlation

Zafarani-Moattar

Shekaari

2007

The Journal of Chemical Thermodynamics

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“…A stable solvation structure of Li + in aprotic solvents is reported to be fourfold coordination. [77][78][79] Because this stable solvation number is smaller than the solvent/Li salt molar ratio, there are considerable amount of free solvent molecules in such dilute electrolytes. With increasing Li salt concentration, free solvent molecules become short for Li + coordination, and thus the Li salts tend to be more associated to form CIPs and AGGs rather than SSIPs.…”

Section: Liquidus Concentration Rangementioning

confidence: 99%

Review—Superconcentrated Electrolytes for Lithium Batteries

Yamada

2015

J. Electrochem. Soc.

702

667

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Ever-increasing demand for better batteries has set extraordinarily high standards for electrolyte materials, which are far beyond the realm of a conventional nonaqueous electrolyte design. Superconcentrated (or highly concentrated) solutions are emerging as a new class of liquid electrolytes with various unusual functionalities beneficial for advanced lithium (Li) battery applications. This article reviews unique features, as well as basic physicochemical properties, of highly concentrated electrolytes from the viewpoint of their peculiar solution structure, and discusses their future contributions to advanced battery technologies. © The Author(s) An electrolyte is an indispensable component in rechargeable batteries. In general, it serves as a carrier ion-conductive and electroninsulating medium facilitating ion transport between a pair of electrodes, simultaneously withstanding the strong reducing and oxidizing forces of negative and positive electrodes, respectively. From this perspective, an ion-transport property and reductive/oxidative stability are the major two metrics in a battery electrolyte design. For lithium (Li)-ion batteries, the reductive/oxidative stability is of particular importance, because they employ extremely strong reducer and oxidizer as negative and positive electrodes, respectively, to deliver the highest voltage (currently ca. 3.8 V) among various battery chemistries. To address this severe situation, an electrochemically stable nonaqueous electrolyte, rather than a highly conductive aqueous electrolyte, has been used with some compromise on ionic transport properties.The composition of nonaqueous electrolytes makes critical impacts on the performance of Li-ion batteries.1-3 This fact is seemingly paradoxical to the "rocking chair" concept of Li-ion batteries, in which electrolyte components principally do not participate in the battery faradaic reactions. This paradox arises, at least partly, from the inherent thermodynamic instability of the electrode/electrolyte interfaces; in most cases, the interfaces are stabilized in a kinetic way (by electrode passivation) based on electrolyte decomposition products, 4 and thus the nature of the interfaces strongly depends on electrolyte composition. In other words, the design of electrolytes often corresponds to the control of the interfaces where faradaic charge-transfer reactions occur, thus making significant effects on the battery performance.A nonaqueous electrolyte design seems to have infinite variations of aprotic solvents (and additives), Li salts, and their mixing ratios (i.e., electrolyte concentrations). Indeed, however, there are many restrictions in the choice of aprotic solvents and Li salts in terms of the kinetic stability of the interfaces they form. First, only specific organic carbonates (e.g., ethylene carbonate (EC)) are compatible with graphite negative electrodes. 5,6 This peculiarity results from solvent's passivation ability. Because almost all aprotic solvents are unstable at such a low potential as ∼0 V vs. Li +...

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Lithium bromide in acetonitrile: Thermodynamics, theory, and simulation

Cited by 40 publications

References 22 publications

Vapor pressures, osmotic and activity coefficients for (LiBr+acetonitrile) between the temperatures (298.15 and 343.15) K

Vapor pressures, osmotic and activity coefficients for (LiBr+acetonitrile) between the temperatures (298.15 and 343.15) K

Density and speed of sound of lithium bromide with organic solvents: Measurement and correlation

Review—Superconcentrated Electrolytes for Lithium Batteries

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