Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl 2 + CaCl 2 + MnCl 2 + FeCl 2 + CoCl 2 + NiCl 2) system

A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the (NaCl + KCl + MgCl 2 + CaCl 2 + MnCl 2 + FeCl 2 + CoCl 2 + NiCl 2) system, and optimized model parameters have been found. The (MgCl 2 + CaCl 2 + MnCl 2 + FeCl 2 +...

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Bibliographic Details
Published in:The Journal of chemical thermodynamics 2004-09, Vol.36 (9), p.809-828
Main Authors: Robelin, Christian, Chartrand, Patrice, Pelton, Arthur D
Format: Article
Language:English
Subjects:
Applied sciences
Chemical thermodynamics
Chemistry
Corrosion
Corrosion mechanisms
Exact sciences and technology
General and physical chemistry
Hot corrosion
Metals. Metallurgy
Mixtures
Molten chlorides
Thermodynamic database
Thermodynamic modeling
Thermodynamic properties
Transition metal chlorides
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Summary:A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the (NaCl + KCl + MgCl 2 + CaCl 2 + MnCl 2 + FeCl 2 + CoCl 2 + NiCl 2) system, and optimized model parameters have been found. The (MgCl 2 + CaCl 2 + MnCl 2 + FeCl 2 + CoCl 2 + NiCl 2) subsystem has been critically evaluated in a previous article. The model parameters obtained for the binary subsystems can be used to predict thermodynamic properties and phase equilibria for the multicomponent system. The Modified Quasichemical Model was used for the molten salt phase, and the (MgCl 2 + MnCl 2 + FeCl 2 + CoCl 2 + NiCl 2) solid solution was modeled using a cationic substitutional model with an ideal entropy and an excess Gibbs free energy expressed as a polynomial in the component mole fractions. Finally, the (Na,K)(Mg,Ca,Mn,Fe,Co,Ni)Cl 3 and the (Na,K) 2(Mg,Mn,Fe,Co,Ni)Cl 4 solid solutions were modeled using the Compound Energy Formalism.
ISSN:0021-9614
1096-3626
DOI:10.1016/j.jct.2004.05.005