Empirical estimation of densities in NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salts using Redlich-Kister expansion

Agca, Can; McMurray, Jake W.

doi:10.1016/j.ces.2021.117086

Cited by 17 publications

(21 citation statements)

References 37 publications

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“…Semiempirical models capable of estimating the properties of high-order molten salt mixtures can be used to bridge the gap between existing experimental data and to provide predictions of multicomponent systems. The Redlich–Kister (RK) expansion has been previously applied for empirical property predictions of density by extrapolation on endmember and pseudo-binary salt mixtures . These semiempirical models provide a tractable formulation that can be easily integrated into thermal systems codes and analysis software, allowing the community to readily evaluate the properties of different salt mixtures. , RK and similar semiempirical models also have the potential to be used in data screening efforts that focus on the identification of errant, outlier data in pseudo-binary or higher-order mixtures.…”

Section: Introductionmentioning

confidence: 99%

Assessment of Molten Eutectic LiF-NaF-KF Density through Experimental Determination and Semiempirical Modeling

et al. 2022

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Molten salts have favorable material properties for use in high-temperature energy systems, including thermal energy storage systems, concentrating solar power plants, nuclear reactors, and various industrial manufacturing processes. Knowledge of chemical and thermophysical property data is essential for the design and optimization of these systems, yet data are often limited or uncertain for many candidate salts due to the difficulty of thermophysical property measurements at relevant temperatures (e.g., 500–900 °C). Here, the density of molten LiF-NaF-KF eutectic is reassessed through review of previous experimental data, new density measurements from 470 to 800 °C, and semiempirical modeling. The density was measured using the displacement technique. Compositional and temperature-dependent density estimates were calculated with a multidimensional Redlich–Kister model. The results of the new experimental measurements agree within 2% of the modeled density of molten eutectic LiF-NaF-KF. The Redlich–Kister model’s prediction shows a near-ideal density behavior for the LiF-NaF-KF system and is promising for the estimation of off-eutectic LiF-NaK-KF densities. Finally, through review of the existing literature and comparison to new measurements, recommendations are made for the density of LiF-NaF-KF.

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Section: Introductionmentioning

confidence: 99%

Assessment of Molten Eutectic LiF-NaF-KF Density through Experimental Determination and Semiempirical Modeling

et al. 2022

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“…This type of mathematical modeling has been implemented for the density of NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salt mixtures successfully in comparison with the experimental data [29]. The Redlich-Kister expansion [30] has been used to account for the nonideal behavior in density. The same procedure can be applied for viscosity and thermal conductivity.…”

Section: Data Improvementsmentioning

confidence: 99%

Saline: An API for Thermophysical Properties

Henderson

Agca

McMurray

et al. 2021

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An initial interface for thermophysical data was generalized for broader incorporation into modeling and simulation codes used for molten salt reactor analysis. A quality assurance review of the thermophysical properties data was conducted; errors were fixed, and improvements were made with consistency and accuracy to references. The Saline code application programming interface was created to facilitate access and integration of thermophysical properties. This report describes the thermophysical data, the quality assurance improvements, and the Saline interface.

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“…This effort is more multifaceted than simply measuring pure, binary, or higher-order salt mixtures that have not yet been measured. This effort also involves (1) establishing measurement techniques that offer repeatable, accurate, and validatable results for better characterized salts so that they can be then applied to the more poorly characterized salts; (2) identifying salts or salt mixtures that have been measured for some thermophysical properties but have large discrepancies from study to study, or high intrinsic experimental uncertainty, and targeting these salts for measurements in addition to entirely uncharacterized salts; (3) comparing the results of experimental measurements with theoretical or ab initio modeling techniques for modeling validation [8,9]; and (4) using binary subsystem data to estimate thermophysical properties with Redlich-Kister expansions, which involves extracting binary interaction parameters from fitting to experimental data and using Muggianu interpolation to model higher-order systems [10,11].…”

Section: Introductionmentioning

confidence: 99%

FY2022 Progress Report on Viscosity and Thermal Conductivity Measurements of Molten Salts

Birri¹,

Gallagher²,

Russell³

et al. 2022

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This report describes the development of and experimental measurements made with the thermal conductivity and viscosity measurement systems for molten salts at Oak Ridge National Laboratory. The thermal conductivity system is based on a steady-state measurement technique in which a heat flux is driven across a variable gap, and the changes in temperature difference across the gap are measured as the gap size is varied. The system comprises an inner containment, which possesses the heating element, and an outer containment, which possesses the salt specimen and cooling channels. The gap is formed between the outer bottom of the inner containment and the inner bottom of the outer containment. The viscosity system is based on the falling-ball technique in which a salt-filled tubular crucible is fixed at an angle and a ball rolls through the salt. The terminal velocity of the ball can be converted into viscosity via a calibration factor calculated for crucible-ball combinations which account for thermal expansion and flow characteristics. Modifications were made to both systems this fiscal year. Modifications to the thermal conductivity system included adding guard heaters to prevent axial heating losses, and modifications to the viscosity system included changing the crucible design to prevent air pocket formation and providing the ability to conduct measurements with a glass or steel crucible.

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Empirical estimation of densities in NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salts using Redlich-Kister expansion

Cited by 17 publications

References 37 publications

Assessment of Molten Eutectic LiF-NaF-KF Density through Experimental Determination and Semiempirical Modeling

Assessment of Molten Eutectic LiF-NaF-KF Density through Experimental Determination and Semiempirical Modeling

Saline: An API for Thermophysical Properties

FY2022 Progress Report on Viscosity and Thermal Conductivity Measurements of Molten Salts

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