Internal Cation Mobilities in Molten Lithium-Potassium Fluoride

Matsuura, Haruaki; Ohashi, Ryo; Chou, Pao-Hwa; Takagi, Ryuzo

doi:10.5796/electrochemistry.74.822

Cited by 3 publications

(5 citation statements)

References 18 publications

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“…The results at 1023 K may be compared with Matsuura's experimental data. 6 Our calculated IMs are close to these results, with the exception of the points at x LiF = 0.5 which appear to be anomalous. We may also compare our results at this temperature with Ribeiro's simulation results (obtained with an empirically parameterised potential).…”

Section: Internal Mobilitiessupporting

confidence: 82%

“…Computer simulations have been used to obtain a more complete set of information on the relationship between the internal mobility and the other transport properties in LiF/KF mixtures than had been available to date. Previous studies 6,9 had suggested that the behaviour of the internal mobilities in this system was unusual and could not readily be accounted for with Okada's Dynamic Dissociation Model. Our far more extensive set of results have confirmed this suggestion, the internal mobilities of Li + and K + respectively increase and decrease with increasing LiF concentrations in the mixtures, and exhibit a Chemla crossing point at about x LiF = 0.7.…”

Section: Discussionmentioning

confidence: 82%

“…Simulations were conducted for 11 different compositions at 1123 K, going from pure LiF to pure KF; this is the temperature at which Sarou-Kanian's measurements of the diffusion coefficients were made. 16 Experimental measurements of the internal mobility have only been made at 1023 K 6 which is below the melting temperature of LiF and KF so that a direct comparison with experiment can only be made over a limited composition range at this temperature. The 5 compositions (x LiF = 0.3-0.7) out of 11 that are melts at 1023 K were also simulated at this temperature.…”

Section: Simulation Detailsmentioning

confidence: 99%

“…Because of the difference between the internal mobilities of the two cationic species one species becomes concentrated close to each electrode. Recently, the results of such measurements have been published on the ionic mixture LiF/KF at 1023 K by Matsuura et al 6 This temperature is below the melting points of both LiF and KF so only a limited composition range could be studied, nevertheless the results suggest the unusual type II behaviour referred to above. Accurate measurements of the diffusion coefficients in molten salts are not readily obtained because of the high temperatures.…”

Section: Introductionmentioning

confidence: 98%

“…4. Experimental values at 1023 K6 and simulated values at 1030K from reference 9 are added for comparison . Dashed lines are added in the figure at 1123 K to facilitate the identification of the type II trend.…”

mentioning

confidence: 99%

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Internal mobilities and diffusion in an ionic liquid mixture

Merlet

Madden

Salanne

2010

Phys. Chem. Chem. Phys.

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The internal mobility gives the rate at which one ionic species moves relative to the other species present in an ionic mixture, it mirrors the differential strength of the interactions between different ionic species. In this work we examine the dependence of the internal mobilities of the Li(+) and K(+) ions on the composition in molten mixtures of LiF and KF. We compare them to the behaviour of the individual diffusion coefficients and the self-exchange velocities, which measure the rate at which an ion separates from its nearest-neighbour coordination shell. The examination is made using molecular dynamics simulations with polarizable, first-principles parameterised interaction potentials which are shown to reproduce the limited available experimental data on the transport properties of these mixtures extremely well. The results confirm that the composition-dependence of the internal mobilities in LiF/KF follows the unusual type-II behaviour, which is not reflected in that of the diffusion coefficients or the self-exchange velocities.

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Section: Internal Mobilitiessupporting

confidence: 82%

Section: Discussionmentioning

confidence: 82%