Depolarisation ratios for Raman scattering from molten alkali and alkaline-earth halides

Fairbanks, Mary C.; McGreevy, R.L.; Mitchell, Emma

doi:10.1088/0022-3719/19/2/005

Cited by 13 publications

(8 citation statements)

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“…They analyzed their data in terms of the relaxation of collective modes, but did not extract any structural properties. The depolarisation ratio is generally higher for alkaline-earth halides than for the alkali halides 62 and it differs from the AX trend shown in Fig. 3 (variation of the depolarisation ratio vs. r + /r À ).…”

Section: Iii2 Divalent Metal Halidesmentioning

confidence: 54%

“…The ratio between both spectra (I anisotropic /I isotropic ) as well as the depolarisation ratio (I HV /I VV ), strongly varies with the alkaline. 62 The anisotropic part goes from minor with lithium to dominant with caesium [63][64][65] for a given halide. In contrast, the depolarisation ratio can increase or decrease when going from fluoride to iodide depending on the alkaline.…”

Section: Iii11 Alkali Halidesmentioning

confidence: 99%

“…In contrast, the depolarisation ratio can increase or decrease when going from fluoride to iodide depending on the alkaline. 66 Fairbanks et al 62 plotted the depolarisation ratio of all the halides except fluorides as function of the ratio of ionic radii for all the halides. They found a strong correlation as observed in Fig.…”

Section: Iii11 Alkali Halidesmentioning

confidence: 99%

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Studies of the local structures of molten metal halides

Rollet

Salanne

2011

Annu. Rep. Prog. Chem., Sect. C: Phys. Chem.

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This review covers the local structure of molten metal halide, where a somewhat wide definition of ''local structure'' is employed, i.e. from the first shell of interacting neighbours up to correlations arising at the nanometer length scale. These particular liquids are indeed strongly organized at unusually long distances due to the predominance of coulombic interactions. Many of them are also characterized by the formation of intermediate range ordering. It is therefore impossible to describe the local structure of these liquids omitting this longer-ranged correlation. Finally, a deeper attention is given to the systems on which recent progresses have been made in the last decade, as for instance molten fluorides and rare earth halides.

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Section: Iii2 Divalent Metal Halidesmentioning

confidence: 54%

Section: Iii11 Alkali Halidesmentioning

confidence: 99%

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Studies of the local structures of molten metal halides

Rollet

Salanne

2011

Annu. Rep. Prog. Chem., Sect. C: Phys. Chem.

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“…The coordination number of Cl-Cl decreased as LiCl increased, which indicated the closed pack between anions was inhibited. This could be attributed to the significant anion-anion overlap in LiCl salts relative to the other alkali chlorides [23]. For anion-anion pairs, the first peak positions shifted from 4.22 Å to 3.75 Å across the concentration, while the first peak heights rose from 1.73 to 2.04.…”

Section: Resultsmentioning

confidence: 97%

Section: Resultsmentioning

confidence: 99%

Investigation of Microscopic Structure and Ion Dynamics in Liquid Li(Na, K)EutecticCl Systems by Molecular Dynamics Simulation

Wang

et al. 2018

Applied Sciences

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Molten chloride salts are the main components in liquid metal batteries, high-temperature heat storage materials, heat transfer mediums, and metal electrolytes. In this paper, interest is centered on the influence of the LiCl component and temperature on the local structure and transport properties of the molten LiCl-NaCl-KCl system over the temperature range of 900 K to 1200 K. The liquid structure and properties have been studied across the full composition range by molecular dynamics (MD) simulation of a sufficient length to collect reliable values, such as the partial radial distribution function, angular distribution functions, coordination numbers distribution, density, self-diffusion coefficient, ionic conductivity, and shear viscosity. Densities obtained from simulations were underestimated by an average 5.7% of the experimental values. Shear viscosities and ionic conductivity were in good agreement with the experimental data. The association of all ion pairs (except for Li-Li and Cl-Cl) was weakened by an increasing LiCl concentration. Ion clusters were formed in liquids with increasing temperatures. The self-diffusion coefficients and ionic conductivity showed positive dependences on both LiCl concentration and temperature, however, the shear viscosity was the opposite. By analyzing the hydrodynamic radii of each ion and the coordination stability of cation-anion pairs, it was speculated that ion clusters could be the cation-anion coordinated structure and affected the macro properties.

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In Situ Spectroscopy in Molten Fluoride Salts

Bessada

Rollet

2013

Molten Salts Chemistry

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Depolarisation ratios for Raman scattering from molten alkali and alkaline-earth halides

Cited by 13 publications

References 13 publications

Studies of the local structures of molten metal halides

Studies of the local structures of molten metal halides

Investigation of Microscopic Structure and Ion Dynamics in Liquid Li(Na, K)EutecticCl Systems by Molecular Dynamics Simulation

In Situ Spectroscopy in Molten Fluoride Salts

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