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Updated: Aug 14, 2025
Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
Published on: September 17, 2021
Entropy scaling of viscosity for molecular models of molten salts
Jeffrey M Young1, Ian H Bell1, Allan H Harvey1
1Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305, USA.
Abstract:
Entropy scaling relates dynamic and thermodynamic properties by reducing the viscosity to a function of only the residual entropy. Molecular simulations are used to investigate the entropy scaling of the viscosity of three models of sodium chloride and five monovalent salts. Even though the correlation between the potential energy and the virial is weak, entropy scaling applies at liquid densities for all models and salts investigated. At lower densities, entropy scaling breaks down due to the formation of ion pairs and chains. Entropy scaling can be used to develop more extendable correlations for the dynamic properties of molten salts.
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