High-temperature XAFS study of solid and molten SrCl2

Okamoto, Yoshihiro; Yaita, Tsuyoshi; Minato, Kazuo

doi:10.1016/j.jnoncrysol.2003.09.059

Cited by 10 publications

(9 citation statements)

References 17 publications

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“…The X-ray absorption near-edge structure for salt mixtures with 5 mol % SrCl 2 in NaCl and 5 mol % ZrF 4 in LiF at room temperature (25 °C) compares well to absorption spectra computed by FEFF (Figure ), which serves to verify our experimental measurements. The XANES spectra for the chloride and fluoride salt mixtures at different temperatures shown in Figure are consistent with the literature. , Two scans in Figure a at 1100 and 25 °C after resolidification warrant further inspection due to their unique features compared to the other spectra. A comparison of the 1100, 25, and the 1000 °C spectra shows a new peak at ∼ E 0 + 10 eV, a valley at E 0 + 18 eV (in the other scans, there is a peak at this location), and a slight peak at E 0 + 36 eV, which rises at a lower energy than in the other scans.…”

Section: Results and Discussionsupporting

confidence: 85%

In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

et al. 2022

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Understanding the local environment of the metal atoms in salt melts is important for modeling the properties of melts and predicting their behavior and thus helping enable the development of technologies such as molten salt reactors and solar-thermal power systems and new approaches to recycling rare-earth metals. Toward that end, we have developed an in situ approach for measuring the coordination of metals in molten salt coupling X-ray absorption spectroscopy (XAS) and Raman spectroscopy. Our approach was demonstrated for two salt mixtures (1.9 and 5 mol % SrCl2 in NaCl, 0.8 and 5 mol % ZrF4 in LiF) at up to 1100 °C. Near-edge (X-ray absorption near-edge structure, XANES) and extended X-ray absorption fine structure (EXAFS) spectra were measured. The EXAFS response was modeled using ab initio FEFF calculations. Strontium’s first shell is observed to be coordinated with chlorine (Sr2+–Cl–) and zirconium’s first shell is coordinated by fluorine (Zr4+–F–), both having coordination numbers that decrease with increasing temperature. Multiple zirconium complexes are believed to be present in the melt, which may interfere and distort the EXAFS spectra and result in an anomalously low zirconium first shell coordination number. The use of boron nitride (BN) powder as a salt diluent for XAFS measurements was found to not interfere with measurements and thus can be used for investigations of such systems.

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Section: Results and Discussionsupporting

confidence: 85%

In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

et al. 2022

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“…The experimental and theoretical studies of the structure of molten SrCl 2 showed that liquid strontium chloride does not form any stable complex structures like CdCl 2 (tetrahedron) or molten YCl 3 (octahedron), and the coordination number of Sr 2+ is 6.6–6.9. ,− When the first portions of LiCl–KCl are added to individual SrCl 2 , the specific conductivity increases due to the appearance of almost free K + cations (Figure ). But there are still many divalent Sr 2+ ions in the melt.…”

Section: Discussionmentioning

confidence: 99%

“…Positive deviations are caused by the disruption of the loose network structure of molten CdCl 2 , when the first portions of LiCl–KCl are added to the melt, as a result of which it becomes more ionic. In contrast to CdCl 2 , individual strontium chloride is almost entirely an ionic melt. − Therefore, relative deviations of molar conductivity of molten mixtures (LiCl–KCl) eut. –SrCl 2 have negative values in the entire concentration range. , …”

Section: Discussionmentioning

confidence: 99%

Electrical Conductivity of (LiCl–KCl)_eut.–SrCl₂ Molten Mixtures

Salyulev

Potapov

2021

J. Chem. Eng. Data

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The electrical conductivity of molten (LiCl−KCl) eut. −SrCl 2 mixtures has been measured from the liquidus temperature up to 1150− 1220 K over the entire concentration range. The density is estimated and the molar conductivity of these mixtures is calculated. For all molten mixtures, the ln Λ vs 1/T dependence has a nonlinear form. Both the specific and molar conductivities have negative deviations from the additive values. This indicates the presence of complexation in the system. Using breakpoints of the electrical conductivity polytherms, the liquidus line of this system is built. The conductivity activation energy is calculated. The activation energy increases as the temperature decreases and the SrCl 2 concentration increases. The results are discussed considering the available data on the structure of the melts.

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“…We utilized NVT ensemble for equilibration, and exploited the same inter-ionic potential as [8]. After equilibration, the coordination data in every 100 steps were introduced to FEFF8.0 code in order to calculate EXAFS oscillation v(k) as thermally averaging structure [9].…”

Section: Methodsmentioning

confidence: 99%

Structural investigation on lead fluoride–lithium fluoride at various compositions and temperatures

Watanabe

Matsuura

Akatsuka

et al. 2005

Journal of Nuclear Materials

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High-temperature XAFS study of solid and molten SrCl2

Cited by 10 publications

References 17 publications

In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

Electrical Conductivity of (LiCl–KCl)_eut.–SrCl₂ Molten Mixtures

Structural investigation on lead fluoride–lithium fluoride at various compositions and temperatures

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High-temperature XAFS study of solid and molten SrCl2

Cited by 10 publications

References 17 publications

In Situ Determination of Speciation and Local Structure of NaCl–SrCl2 and LiF–ZrF4 Molten Salts

In Situ Determination of Speciation and Local Structure of NaCl–SrCl2 and LiF–ZrF4 Molten Salts

Electrical Conductivity of (LiCl–KCl)eut.–SrCl2 Molten Mixtures

Structural investigation on lead fluoride–lithium fluoride at various compositions and temperatures

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In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

In Situ Determination of Speciation and Local Structure of NaCl–SrCl₂ and LiF–ZrF₄ Molten Salts

Electrical Conductivity of (LiCl–KCl)_eut.–SrCl₂ Molten Mixtures