Thermodynamic evaluation and optimization of the (NaCl + KCl + MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system
Description
A complete critical evaluation of all available phase diagram and thermodynamic data has been performed for all condensed phases of the (NaCl + KCl + MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) system, and optimized model parameters have been found. The (MgCl2 + CaCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) 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 (MgCl2 + MnCl2 + FeCl2 + CoCl2 + NiCl2) 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)Cl3 and the (Na,K)2(Mg,Mn,Fe,Co,Ni)Cl4 solid solutions were modeled using the Compound Energy Formalism
Additional details
Identifiers
- DOI
- 10.1016/j.jct.2004.05.005;
- PII
- S0021961404001016;
Publishing Information
- Journal Title
- Journal of Chemical Thermodynamics
- Journal Volume
- 36
- Journal Issue
- 9
- Journal Page Range
- p. 809-828
- ISSN
- 0021-9614
- CODEN
- JCTDAF
INIS
- Country of Publication
- United Kingdom
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 36011836
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
- Descriptors DEI
- CALCIUM CHLORIDES; COBALT CHLORIDES; CORROSION; ENTROPY; EVALUATION; FREE ENTHALPY; IRON CHLORIDES; MAGNESIUM CHLORIDES; MANGANESE CHLORIDES; MOLTEN SALTS; NICKEL CHLORIDES; OPTIMIZATION; PHASE DIAGRAMS; POLYNOMIALS; POTASSIUM CHLORIDES; SIMULATION; SODIUM CHLORIDES; SOLID SOLUTIONS; THERMODYNAMIC PROPERTIES; THERMODYNAMICS
- Descriptors DEC
- ALKALI METAL COMPOUNDS; ALKALINE EARTH METAL COMPOUNDS; CALCIUM COMPOUNDS; CALCIUM HALIDES; CHEMICAL REACTIONS; CHLORIDES; CHLORINE COMPOUNDS; COBALT COMPOUNDS; DIAGRAMS; DISPERSIONS; ENERGY; FUNCTIONS; HALIDES; HALOGEN COMPOUNDS; HOMOGENEOUS MIXTURES; INFORMATION; IRON COMPOUNDS; MAGNESIUM COMPOUNDS; MANGANESE COMPOUNDS; MANGANESE HALIDES; MIXTURES; NICKEL COMPOUNDS; PHYSICAL PROPERTIES; POTASSIUM COMPOUNDS; SALTS; SODIUM COMPOUNDS; SOLUTIONS; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS
Optional Information
- Copyright
- Copyright (c) 2004 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.