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Entropy scaling of viscosity for molecular models of molten salts.
Young, Jeffrey M; Bell, Ian H; Harvey, Allan H.
Afiliação
  • Young JM; Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305, USA.
  • Bell IH; Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305, USA.
  • Harvey AH; Applied Chemicals and Materials Division, National Institute of Standards and Technology, Boulder, Colorado 80305, USA.
J Chem Phys ; 158(2): 024502, 2023 Jan 14.
Article em En | MEDLINE | ID: mdl-36641388
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.

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos

Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2023 Tipo de documento: Article País de afiliação: Estados Unidos