1. The role of the local structure on the thermal transport within dissociated and complexed Molten salt mixtures.
- Author
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Gheribi, Aïmen E., Phan, Anh Thu, Yang, Huiqiang, Gallagher, Ryan C., and Chartrand, Patrice
- Subjects
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FUSED salts , *ALUMINUM oxide , *THERMAL conductivity , *COMPLEX ions - Abstract
Contrary to the solid state, the understanding of thermal transport within molten salts remains limited. This study aims at establishing a robust theoretical framework for describing and predicting thermal transport in complex and dissociated multicomponent molten salt mixtures, considering both the composition and temperature variables. The proposed approach, based on kinetic theory, considers the local perturbation of kinetic energy through mass fluctuation, weighted by a function dependent on the thermal conductivity of the uncorrelated system and the local structure. The local structure is described in terms of the concentration of free and complex ions, determined either experimentally (using NMR) or through equilibrium atomistic simulations. The thermal transport within several molten salt systems, including KCl, Al 2 O 3 , LiF-KF, LiF-NaF-KF (FLiNaK), KCl-MgCl 2 , NaCl-KCl-MgCl 2 , and the NaF-AlF 3 system, are presented as case studies using the proposed approach. Furthermore, a molecular-level perspective of thermal conduction within molten salts is discussed. • A formalism is proposed to describe the conductivity within complex ionically bonded liquids. • This formalism is based on kinetic theory and explicitly accounts for the local structure. • Molecular Dynamics is employed to simulate both the local structure and thermal conductivity. • The model is found to cover a range from single dissociated molten salt to complex slags. [ABSTRACT FROM AUTHOR]
- Published
- 2024
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